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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C=CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C30H32N4O3/c1-2-15-31-29(36)26-22-33(21-25-12-7-4-8-13-25)23-27(28(26)35)30(37)34-19-17-32(18-20-34)16-9-14-24-10-5-3-6-11-24/h2-14,22-23H,1,15-21H2,(H,31,36)/p+1/b14-9+