2-(1,3-benzodioxol-5-yl)-N-[(4-carbamimidoylphenyl)methyl]-2-methoxy-ethanamide hydrochloride

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-carbamimidoylphenyl)methyl]-2-methoxy-ethanamide hydrochloride Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-carbamimidoylphenyl)methyl]-2-methoxy-acetamide hydrochloride CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-carbamimidoylphenyl)methyl]-2-methoxyacetamide hydrochloride IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-carbamimidoylphenyl)methyl]-2-methoxyacetamide hydrochloride Traditional Name: N-(4-amidinobenzyl)-2-(1,3-benzodioxol-5-yl)-2-methoxy-acetamide hydrochloride Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC2=C(C=C1)OCO2)C(=O)NCC3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(C1=CC2=C(C=C1)OCO2)C(=O)NCC3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C18H19N3O4.ClH/c1-23-16(13-6-7-14-15(8-13)25-10-24-14)18(22)21-9-11-2-4-12(5-3-11)17(19)20;/h2-8,16H,9-10H2,1H3,(H3,19,20)(H,21,22);1H