N-tert-butyl-1-cyclohexyl-5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: N-tert-butyl-1-cyclohexyl-5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-tert-butyl-1-cyclohexyl-5-[4-(m-tolylmethyl)piperazin-4-ium-1-carbonyl]-4-oxo-pyridine-3-carboxamide CAS Name: N-tert-butyl-1-cyclohexyl-5-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-4-oxo-3-pyridinecarboxamide IUPAC Name: N-tert-butyl-1-cyclohexyl-5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]-4-oxopyridine-3-carboxamide Traditional Name: N-tert-butyl-1-cyclohexyl-4-keto-5-[4-(3-methylbenzyl)piperazin-4-ium-1-carbonyl]nicotinamide Formula: C29H41N4O3+ MolecularWeight: 493.66084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CN(C=C(C3=O)C(=O)NC(C)(C)C)C4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CN(C=C(C3=O)C(=O)NC(C)(C)C)C4CCCCC4

InChI

InChI=1S/C29H40N4O3/c1-21-9-8-10-22(17-21)18-31-13-15-32(16-14-31)28(36)25-20-33(23-11-6-5-7-12-23)19-24(26(25)34)27(35)30-29(2,3)4/h8-10,17,19-20,23H,5-7,11-16,18H2,1-4H3,(H,30,35)/p+1