N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-piperazin-4-ium-1-yl-aniline

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-piperazin-4-ium-1-yl-aniline Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-piperazin-4-ium-1-yl-aniline CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-(1-piperazin-4-iumyl)aniline IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-piperazin-4-ium-1-ylaniline Traditional Name: homoveratryl-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)amine Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CC[NH2+]CC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CC[NH2+]CC3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H26N4O4/c1-27-19-6-3-15(13-20(19)28-2)7-8-22-17-14-16(4-5-18(17)24(25)26)23-11-9-21-10-12-23/h3-6,13-14,21-22H,7-12H2,1-2H3/p+1