(2S)-2-[(R)-phenyl-[(1S)-2-piperidin-1-ium-1-ylidenecyclohexyl]methyl]-3,4-dihydro-2H-naphthalen-1-one

Systemtic Name: (2S)-2-[(R)-phenyl-[(1S)-2-piperidin-1-ium-1-ylidenecyclohexyl]methyl]-3,4-dihydro-2H-naphthalen-1-one Openeye Name: (2S)-2-[(R)-phenyl-[(1S)-2-piperidin-1-ium-1-ylidenecyclohexyl]methyl]tetralin-1-one CAS Name: (2S)-2-[(R)-phenyl-[(1S)-2-(1-piperidin-1-iumylidene)cyclohexyl]methyl]-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: (2S)-2-[(R)-phenyl-[(1S)-2-piperidin-1-ium-1-ylidenecyclohexyl]methyl]-3,4-dihydro-2H-naphthalen-1-one Traditional Name: (2S)-2-[(R)-phenyl-[(1S)-2-piperidin-1-ium-1-ylidenecyclohexyl]methyl]tetralin-1-one Formula: C28H34NO+ MolecularWeight: 400.57566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C2CCCCC2C(C3CCC4=CC=CC=C4C3=O)C5=CC=CC=C5)CC1

Isomeric SMILES

C1CC[N+](=C2CCCC[C@H]2[C@H]([C@@H]3CCC4=CC=CC=C4C3=O)C5=CC=CC=C5)CC1

InChI

InChI=1S/C28H34NO/c30-28-23-14-6-5-11-21(23)17-18-25(28)27(22-12-3-1-4-13-22)24-15-7-8-16-26(24)29-19-9-2-10-20-29/h1,3-6,11-14,24-25,27H,2,7-10,15-20H2/q+1/t24-,25+,27-/m1/s1