3-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-N-[(3-nitrophenyl)methylideneamino]propanamide

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-N-[(3-nitrophenyl)methylideneamino]propanamide Openeye Name: 3-(4-benzhydrylpiperazin-1-ium-1-yl)-N-[(3-nitrophenyl)methyleneamino]propanamide CAS Name: 3-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-N-[(3-nitrophenyl)methylideneamino]propanamide IUPAC Name: 3-(4-benzhydrylpiperazin-1-ium-1-yl)-N-[(3-nitrophenyl)methylideneamino]propanamide Traditional Name: 3-(4-benzhydrylpiperazin-1-ium-1-yl)-N-[(3-nitrobenzylidene)amino]propionamide Formula: C27H30N5O3+ MolecularWeight: 472.5588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N5O3/c33-26(29-28-21-22-8-7-13-25(20-22)32(34)35)14-15-30-16-18-31(19-17-30)27(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-13,20-21,27H,14-19H2,(H,29,33)/p+1