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

Systemtic Name: [6-(4-oxidanylpiperidin-1-yl)pyridin-1-ium-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone Openeye Name: [6-(4-hydroxy-1-piperidyl)pyridin-1-ium-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone CAS Name: [6-(4-hydroxy-1-piperidinyl)-3-pyridin-1-iumyl]-[(4S)-4-phenyl-1-azepanyl]methanone IUPAC Name: [6-(4-hydroxypiperidin-1-yl)pyridin-1-ium-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone Traditional Name: [6-(4-hydroxypiperidino)pyridin-1-ium-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C(=O)C2=C[NH+]=C(C=C2)N3CCC(CC3)O)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CCN(C1)C(=O)C2=C[NH+]=C(C=C2)N3CCC(CC3)O)C4=CC=CC=C4

InChI

InChI=1S/C23H29N3O2/c27-21-11-15-25(16-12-21)22-9-8-20(17-24-22)23(28)26-13-4-7-19(10-14-26)18-5-2-1-3-6-18/h1-3,5-6,8-9,17,19,21,27H,4,7,10-16H2/p+1/t19-/m0/s1