N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(Z)-(3-chlorophenyl)methyleneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(Z)-(3-chlorobenzylidene)amino]-1-(4-nitrobenzyl)piperidin-1-ium-4-carboxamide Formula: C20H22ClN4O3+ MolecularWeight: 401.86668

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NN=CC2=CC(=CC=C2)Cl)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)N/N=C\C2=CC(=CC=C2)Cl)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O3/c21-18-3-1-2-16(12-18)13-22-23-20(26)17-8-10-24(11-9-17)14-15-4-6-19(7-5-15)25(27)28/h1-7,12-13,17H,8-11,14H2,(H,23,26)/p+1/b22-13-