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

Systemtic Name: N-[(Z)-1-(4-bromophenyl)ethylideneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(Z)-1-(4-bromophenyl)ethylideneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(Z)-1-(4-bromophenyl)ethylideneamino]-1-[(4-nitrophenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(Z)-1-(4-bromophenyl)ethylideneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(Z)-1-(4-bromophenyl)ethylideneamino]-1-(4-nitrobenzyl)piperidin-1-ium-4-carboxamide Formula: C21H24BrN4O3+ MolecularWeight: 460.34426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O3/c1-15(17-4-6-19(22)7-5-17)23-24-21(27)18-10-12-25(13-11-18)14-16-2-8-20(9-3-16)26(28)29/h2-9,18H,10-14H2,1H3,(H,24,27)/p+1/b23-15-