N-[(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-3-nitro-aniline

Systemtic Name: N-[(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-3-nitro-aniline Openeye Name: N-[(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-3-nitro-aniline CAS Name: N-[(Z)-1-[4-methoxy-3-(1-piperidin-1-iumylmethyl)phenyl]ethylideneamino]-3-nitroaniline IUPAC Name: N-[(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-3-nitroaniline Traditional Name: [(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-(3-nitrophenyl)amine Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=CC(=CC=C1)[N+](=O)[O-])C2=CC(=C(C=C2)OC)C[NH+]3CCCCC3

Isomeric SMILES

C/C(=N/NC1=CC(=CC=C1)[N+](=O)[O-])/C2=CC(=C(C=C2)OC)C[NH+]3CCCCC3

InChI

InChI=1S/C21H26N4O3/c1-16(22-23-19-7-6-8-20(14-19)25(26)27)17-9-10-21(28-2)18(13-17)15-24-11-4-3-5-12-24/h6-10,13-14,23H,3-5,11-12,15H2,1-2H3/p+1/b22-16-