[6-(4-methoxypiperidin-1-yl)pyridin-1-ium-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone

Systemtic Name: [6-(4-methoxypiperidin-1-yl)pyridin-1-ium-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone Openeye Name: [6-(4-methoxy-1-piperidyl)pyridin-1-ium-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone CAS Name: [6-(4-methoxy-1-piperidinyl)-3-pyridin-1-iumyl]-[(4S)-4-phenyl-1-azepanyl]methanone IUPAC Name: [6-(4-methoxypiperidin-1-yl)pyridin-1-ium-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone Traditional Name: [6-(4-methoxypiperidino)pyridin-1-ium-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCN(CC1)C2=[NH+]C=C(C=C2)C(=O)N3CCCC(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1CCN(CC1)C2=[NH+]C=C(C=C2)C(=O)N3CCC[C@@H](CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H31N3O2/c1-29-22-12-16-26(17-13-22)23-10-9-21(18-25-23)24(28)27-14-5-8-20(11-15-27)19-6-3-2-4-7-19/h2-4,6-7,9-10,18,20,22H,5,8,11-17H2,1H3/p+1/t20-/m0/s1