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

Systemtic Name: [1-(2-azanyl-2-oxidanylidene-ethyl)-6-carbamimidoyl-naphthalen-2-yl] 4-[(E)-diazanylidenemethyl]benzoate dihydrochloride Openeye Name: [1-(2-amino-2-oxo-ethyl)-6-carbamimidoyl-2-naphthyl] 4-[(E)-hydrazinylidenemethyl]benzoate dihydrochloride CAS Name: 4-[(E)-hydrazinylidenemethyl]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-[(E)-hydrazinylidenemethyl]benzoate dihydrochloride Traditional Name: 4-[(E)-hydrazonomethyl]benzoic acid [6-amidino-1-(2-amino-2-keto-ethyl)-2-naphthyl] ester dihydrochloride Formula: C21H21Cl2N5O3 MolecularWeight: 462.32914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NN)C(=O)OC2=C(C3=C(C=C2)C=C(C=C3)C(=N)N)CC(=O)N.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O3.2ClH/c22-19(27)10-17-16-7-5-15(20(23)24)9-14(16)6-8-18(17)29-21(28)13-3-1-12(2-4-13)11-26-25;;/h1-9,11H,10,25H2,(H2,22,27)(H3,23,24);2*1H/b26-11+;;