(3S)-1-[1-[3-(3-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-1-ium-3-ol

Systemtic Name: (3S)-1-[1-[3-(3-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-1-ium-3-ol Openeye Name: (3S)-1-[1-[3-(m-tolyl)phenyl]-4-piperidyl]pyrrolidin-1-ium-3-ol CAS Name: (3S)-1-[1-[3-(3-methylphenyl)phenyl]-4-piperidinyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S)-1-[1-[3-(3-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-1-ium-3-ol Traditional Name: (3S)-1-[1-[3-(m-tolyl)phenyl]-4-piperidyl]pyrrolidin-1-ium-3-ol Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=CC=C2)N3CCC(CC3)[NH+]4CCC(C4)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=CC=C2)N3CCC(CC3)[NH+]4CC[C@@H](C4)O

InChI

InChI=1S/C22H28N2O/c1-17-4-2-5-18(14-17)19-6-3-7-21(15-19)23-11-8-20(9-12-23)24-13-10-22(25)16-24/h2-7,14-15,20,22,25H,8-13,16H2,1H3/p+1/t22-/m0/s1