N-(3-azanyl-3-azanylidene-propyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-naphthalen-2-yl-benzimidazole-5-carboxamide dihydrochloride

Systemtic Name: N-(3-azanyl-3-azanylidene-propyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-naphthalen-2-yl-benzimidazole-5-carboxamide dihydrochloride Openeye Name: N-(3-amino-3-imino-propyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(2-naphthyl)benzimidazole-5-carboxamide dihydrochloride CAS Name: N-(3-amino-3-iminopropyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(2-naphthalenyl)-5-benzimidazolecarboxamide dihydrochloride IUPAC Name: N-(3-amino-3-iminopropyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-naphthalen-2-ylbenzimidazole-5-carboxamide dihydrochloride Traditional Name: 2-[2-(4-amidinophenyl)ethyl]-N-(3-amino-3-imino-propyl)-1-methyl-N-(2-naphthyl)benzimidazole-5-carboxamide dihydrochloride Formula: C31H33Cl2N7O MolecularWeight: 590.54602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=N)N)C3=CC4=CC=CC=C4C=C3)N=C1CCC5=CC=C(C=C5)C(=N)N.Cl.Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=N)N)C3=CC4=CC=CC=C4C=C3)N=C1CCC5=CC=C(C=C5)C(=N)N.Cl.Cl

InChI

InChI=1S/C31H31N7O.2ClH/c1-37-27-14-12-24(19-26(27)36-29(37)15-8-20-6-9-22(10-7-20)30(34)35)31(39)38(17-16-28(32)33)25-13-11-21-4-2-3-5-23(21)18-25;;/h2-7,9-14,18-19H,8,15-17H2,1H3,(H3,32,33)(H3,34,35);2*1H