methyl 2-[(7-carbamimidoylnaphthalen-2-yl)amino]-5-piperidin-4-yloxy-benzoate dihydrochloride

Systemtic Name: methyl 2-[(7-carbamimidoylnaphthalen-2-yl)amino]-5-piperidin-4-yloxy-benzoate dihydrochloride Openeye Name: methyl 2-[(7-carbamimidoyl-2-naphthyl)amino]-5-(4-piperidyloxy)benzoate dihydrochloride CAS Name: 2-[(7-carbamimidoyl-2-naphthalenyl)amino]-5-(4-piperidinyloxy)benzoic acid methyl ester dihydrochloride IUPAC Name: methyl 2-[(7-carbamimidoylnaphthalen-2-yl)amino]-5-piperidin-4-yloxybenzoate dihydrochloride Traditional Name: 2-[(7-amidino-2-naphthyl)amino]-5-(4-piperidyloxy)benzoic acid methyl ester dihydrochloride Formula: C24H28Cl2N4O3 MolecularWeight: 491.41012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)OC2CCNCC2)NC3=CC4=C(C=CC(=C4)C(=N)N)C=C3.Cl.Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)OC2CCNCC2)NC3=CC4=C(C=CC(=C4)C(=N)N)C=C3.Cl.Cl

InChI

InChI=1S/C24H26N4O3.2ClH/c1-30-24(29)21-14-20(31-19-8-10-27-11-9-19)6-7-22(21)28-18-5-4-15-2-3-16(23(25)26)12-17(15)13-18;;/h2-7,12-14,19,27-28H,8-11H2,1H3,(H3,25,26);2*1H