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

Systemtic Name: N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxidanylidene-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide Openeye Name: 5-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-1-isobutyl-N-isopentyl-4-oxo-pyridine-3-carboxamide CAS Name: N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-5-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide Traditional Name: 5-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N-isoamyl-1-isobutyl-4-keto-nicotinamide Formula: C29H41N4O3+ MolecularWeight: 493.66084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)CC(C)C

Isomeric SMILES

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C29H40N4O3/c1-22(2)12-13-30-28(35)25-20-32(19-23(3)4)21-26(27(25)34)29(36)33-17-15-31(16-18-33)14-8-11-24-9-6-5-7-10-24/h5-11,20-23H,12-19H2,1-4H3,(H,30,35)/p+1/b11-8+