1-cyclopentyl-5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-4-oxidanylidene-N-prop-2-enyl-pyridine-3-carboxamide

Systemtic Name: 1-cyclopentyl-5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-4-oxidanylidene-N-prop-2-enyl-pyridine-3-carboxamide Openeye Name: N-allyl-1-cyclopentyl-5-[4-(m-tolylmethyl)piperazin-4-ium-1-carbonyl]-4-oxo-pyridine-3-carboxamide CAS Name: 1-cyclopentyl-5-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-4-oxo-N-prop-2-enyl-3-pyridinecarboxamide IUPAC Name: 1-cyclopentyl-5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide Traditional Name: N-allyl-1-cyclopentyl-4-keto-5-[4-(3-methylbenzyl)piperazin-4-ium-1-carbonyl]nicotinamide Formula: C27H35N4O3+ MolecularWeight: 463.5918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CN(C=C(C3=O)C(=O)NCC=C)C4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CN(C=C(C3=O)C(=O)NCC=C)C4CCCC4

InChI

InChI=1S/C27H34N4O3/c1-3-11-28-26(33)23-18-31(22-9-4-5-10-22)19-24(25(23)32)27(34)30-14-12-29(13-15-30)17-21-8-6-7-20(2)16-21/h3,6-8,16,18-19,22H,1,4-5,9-15,17H2,2H3,(H,28,33)/p+1