2-[(1-carbamimidoylpiperidin-4-yl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-benzamide hydrochloride

Systemtic Name: 2-[(1-carbamimidoylpiperidin-4-yl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-benzamide hydrochloride Openeye Name: 2-[(1-carbamimidoyl-4-piperidyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-benzamide hydrochloride CAS Name: 2-[(1-carbamimidoyl-4-piperidinyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-5-nitrobenzamide hydrochloride IUPAC Name: 2-[(1-carbamimidoylpiperidin-4-yl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-5-nitrobenzamide hydrochloride Traditional Name: 2-[(1-amidino-4-piperidyl)amino]-5-nitro-N-veratryl-benzamide hydrochloride Formula: C22H29ClN6O5 MolecularWeight: 492.95586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCN(CC3)C(=N)N)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCN(CC3)C(=N)N)OC.Cl

InChI

InChI=1S/C22H28N6O5.ClH/c1-32-19-6-3-14(11-20(19)33-2)13-25-21(29)17-12-16(28(30)31)4-5-18(17)26-15-7-9-27(10-8-15)22(23)24;/h3-6,11-12,15,26H,7-10,13H2,1-2H3,(H3,23,24)(H,25,29);1H