1-[(4-nitrophenyl)methyl]-N-[(Z)-1-phenylpropylideneamino]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-nitrophenyl)methyl]-N-[(Z)-1-phenylpropylideneamino]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-nitrophenyl)methyl]-N-[(Z)-1-phenylpropylideneamino]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-nitrophenyl)methyl]-N-[(Z)-1-phenylpropylideneamino]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-nitrophenyl)methyl]-N-[(Z)-1-phenylpropylideneamino]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-nitrobenzyl)-N-[(Z)-1-phenylpropylideneamino]piperidin-1-ium-4-carboxamide Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC/C(=N/NC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)[N+](=O)[O-])/C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O3/c1-2-21(18-6-4-3-5-7-18)23-24-22(27)19-12-14-25(15-13-19)16-17-8-10-20(11-9-17)26(28)29/h3-11,19H,2,12-16H2,1H3,(H,24,27)/p+1/b23-21-