(2S)-1-[(4-methylphenyl)-phenyl-amino]-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-[(4-methylphenyl)-phenyl-amino]-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-piperidin-1-ium-1-yl-3-[N-(p-tolyl)anilino]propan-2-ol CAS Name: (2S)-1-(N-(4-methylphenyl)anilino)-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(N-(4-methylphenyl)anilino)-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-piperidin-1-ium-1-yl-3-[N-(p-tolyl)anilino]propan-2-ol Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(C[NH+]2CCCCC2)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N(C[C@@H](C[NH+]2CCCCC2)O)C3=CC=CC=C3

InChI

InChI=1S/C21H28N2O/c1-18-10-12-20(13-11-18)23(19-8-4-2-5-9-19)17-21(24)16-22-14-6-3-7-15-22/h2,4-5,8-13,21,24H,3,6-7,14-17H2,1H3/p+1/t21-/m1/s1