2-ethyl-6-methyl-3-[(4S)-4-phenylazepan-1-yl]carbonyl-1-(2-piperidin-1-ium-1-ylethyl)pyridin-4-one

Systemtic Name: 2-ethyl-6-methyl-3-[(4S)-4-phenylazepan-1-yl]carbonyl-1-(2-piperidin-1-ium-1-ylethyl)pyridin-4-one Openeye Name: 2-ethyl-6-methyl-3-[(4S)-4-phenylazepane-1-carbonyl]-1-(2-piperidin-1-ium-1-ylethyl)pyridin-4-one CAS Name: 2-ethyl-6-methyl-3-[oxo-[(4S)-4-phenyl-1-azepanyl]methyl]-1-[2-(1-piperidin-1-iumyl)ethyl]-4-pyridinone IUPAC Name: 2-ethyl-6-methyl-3-[(4S)-4-phenylazepane-1-carbonyl]-1-(2-piperidin-1-ium-1-ylethyl)pyridin-4-one Traditional Name: 2-ethyl-6-methyl-3-[(4S)-4-phenylazepane-1-carbonyl]-1-(2-piperidin-1-ium-1-ylethyl)-4-pyridone Formula: C28H40N3O2+ MolecularWeight: 450.6361

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C(N1CC[NH+]2CCCCC2)C)C(=O)N3CCCC(CC3)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=O)C=C(N1CC[NH+]2CCCCC2)C)C(=O)N3CCC[C@@H](CC3)C4=CC=CC=C4

InChI

InChI=1S/C28H39N3O2/c1-3-25-27(26(32)21-22(2)31(25)20-19-29-15-8-5-9-16-29)28(33)30-17-10-13-24(14-18-30)23-11-6-4-7-12-23/h4,6-7,11-12,21,24H,3,5,8-10,13-20H2,1-2H3/p+1/t24-/m0/s1