5-(4-cyclohexylpiperazin-4-ium-1-yl)carbonyl-4-oxidanylidene-1-(phenylmethyl)-N-prop-2-enyl-pyridine-3-carboxamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)C3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

C=CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)C3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O3/c1-2-13-28-26(33)23-19-29(18-21-9-5-3-6-10-21)20-24(25(23)32)27(34)31-16-14-30(15-17-31)22-11-7-4-8-12-22/h2-3,5-6,9-10,19-20,22H,1,4,7-8,11-18H2,(H,28,33)/p+1