[1-(2-azanyl-2-oxidanylidene-ethyl)-6-carbamimidoyl-naphthalen-2-yl] 4-[(2-butylhydrazinyl)methylideneamino]benzoate dihydrochloride

Systemtic Name: [1-(2-azanyl-2-oxidanylidene-ethyl)-6-carbamimidoyl-naphthalen-2-yl] 4-[(2-butylhydrazinyl)methylideneamino]benzoate dihydrochloride Openeye Name: [1-(2-amino-2-oxo-ethyl)-6-carbamimidoyl-2-naphthyl] 4-[(2-butylhydrazino)methyleneamino]benzoate dihydrochloride CAS Name: 4-[(butylhydrazo)methylideneamino]benzoic acid [1-(2-amino-2-oxoethyl)-6-carbamimidoyl-2-naphthalenyl] ester dihydrochloride IUPAC Name: [1-(2-amino-2-oxoethyl)-6-carbamimidoylnaphthalen-2-yl] 4-[(2-butylhydrazinyl)methylideneamino]benzoate dihydrochloride Traditional Name: 4-[(N'-butylhydrazino)methyleneamino]benzoic acid [6-amidino-1-(2-amino-2-keto-ethyl)-2-naphthyl] ester dihydrochloride Formula: C25H30Cl2N6O3 MolecularWeight: 533.4501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNNC=NC1=CC=C(C=C1)C(=O)OC2=C(C3=C(C=C2)C=C(C=C3)C(=N)N)CC(=O)N.Cl.Cl

Isomeric SMILES

CCCCNNC=NC1=CC=C(C=C1)C(=O)OC2=C(C3=C(C=C2)C=C(C=C3)C(=N)N)CC(=O)N.Cl.Cl

InChI

InChI=1S/C25H28N6O3.2ClH/c1-2-3-12-30-31-15-29-19-8-4-16(5-9-19)25(33)34-22-11-7-17-13-18(24(27)28)6-10-20(17)21(22)14-23(26)32;;/h4-11,13,15,30H,2-3,12,14H2,1H3,(H2,26,32)(H3,27,28)(H,29,31);2*1H