2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-imidazo[1,2-a]pyridine

Systemtic Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-imidazo[1,2-a]pyridine Openeye Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-imidazo[1,2-a]pyridine CAS Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-nitroimidazo[1,2-a]pyridine IUPAC Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-nitroimidazo[1,2-a]pyridine Traditional Name: 3-nitro-2-(4-veratrylpiperazin-4-ium-1-yl)imidazo[1,2-a]pyridine Formula: C20H24N5O4+ MolecularWeight: 398.43566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=C(N4C=CC=CC4=N3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=C(N4C=CC=CC4=N3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N5O4/c1-28-16-7-6-15(13-17(16)29-2)14-22-9-11-23(12-10-22)19-20(25(26)27)24-8-4-3-5-18(24)21-19/h3-8,13H,9-12,14H2,1-2H3/p+1