1-cyclopropyl-4-oxidanylidene-N-(phenylmethyl)-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide

Systemtic Name: 1-cyclopropyl-4-oxidanylidene-N-(phenylmethyl)-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide Openeye Name: N-benzyl-5-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-1-cyclopropyl-4-oxo-pyridine-3-carboxamide CAS Name: 1-cyclopropyl-4-oxo-5-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-N-(phenylmethyl)-3-pyridinecarboxamide IUPAC Name: N-benzyl-1-cyclopropyl-4-oxo-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide Traditional Name: N-benzyl-5-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-1-cyclopropyl-4-keto-nicotinamide Formula: C30H33N4O3+ MolecularWeight: 497.60802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C(=C2)C(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CC1N2C=C(C(=O)C(=C2)C(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C30H32N4O3/c35-28-26(29(36)31-20-24-10-5-2-6-11-24)21-34(25-13-14-25)22-27(28)30(37)33-18-16-32(17-19-33)15-7-12-23-8-3-1-4-9-23/h1-12,21-22,25H,13-20H2,(H,31,36)/p+1/b12-7+