(3R)-3-(2-methylphenyl)-3-phenyl-1-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)propan-1-one

Systemtic Name: (3R)-3-(2-methylphenyl)-3-phenyl-1-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)propan-1-one Openeye Name: (3R)-3-(o-tolyl)-3-phenyl-1-(4-pyrrolidin-1-ium-1-yl-1-piperidyl)propan-1-one CAS Name: (3R)-3-(2-methylphenyl)-3-phenyl-1-[4-(1-pyrrolidin-1-iumyl)-1-piperidinyl]-1-propanone IUPAC Name: (3R)-3-(2-methylphenyl)-3-phenyl-1-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)propan-1-one Traditional Name: (3R)-3-(o-tolyl)-3-phenyl-1-(4-pyrrolidin-1-ium-1-ylpiperidino)propan-1-one Formula: C25H33N2O+ MolecularWeight: 377.54232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(=O)N2CCC(CC2)[NH+]3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1[C@H](CC(=O)N2CCC(CC2)[NH+]3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H32N2O/c1-20-9-5-6-12-23(20)24(21-10-3-2-4-11-21)19-25(28)27-17-13-22(14-18-27)26-15-7-8-16-26/h2-6,9-12,22,24H,7-8,13-19H2,1H3/p+1/t24-/m1/s1