3-[(3R)-1-[[3-(2-methylphenyl)phenyl]methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[(3R)-1-[[3-(2-methylphenyl)phenyl]methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[(3R)-1-[[3-(o-tolyl)phenyl]methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[(3R)-1-[[3-(2-methylphenyl)phenyl]methyl]-3-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[(3R)-1-[[3-(2-methylphenyl)phenyl]methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[(3R)-1-[3-(o-tolyl)benzyl]piperidin-1-ium-3-yl]-1-pyrrolidino-propan-1-one Formula: C26H35N2O+ MolecularWeight: 391.5689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=CC=C2)C[NH+]3CCCC(C3)CCC(=O)N4CCCC4

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=CC=C2)C[NH+]3CCC[C@@H](C3)CCC(=O)N4CCCC4

InChI

InChI=1S/C26H34N2O/c1-21-8-2-3-12-25(21)24-11-6-9-23(18-24)20-27-15-7-10-22(19-27)13-14-26(29)28-16-4-5-17-28/h2-3,6,8-9,11-12,18,22H,4-5,7,10,13-17,19-20H2,1H3/p+1/t22-/m1/s1