dimethyl-[(1R)-1-(4-methylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethyl]azanium

Systemtic Name: dimethyl-[(1R)-1-(4-methylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethyl]azanium Openeye Name: [(1R)-2-[(4-isopropylphenyl)methylamino]-1-(p-tolyl)ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(1R)-1-(4-methylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethyl]ammonium IUPAC Name: dimethyl-[(1R)-1-(4-methylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethyl]azanium Traditional Name: [(1R)-2-[(4-isopropylbenzyl)amino]-1-(p-tolyl)ethyl]-dimethyl-ammonium Formula: C21H31N2+ MolecularWeight: 311.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNCC2=CC=C(C=C2)C(C)C)[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNCC2=CC=C(C=C2)C(C)C)[NH+](C)C

InChI

InChI=1S/C21H30N2/c1-16(2)19-12-8-18(9-13-19)14-22-15-21(23(4)5)20-10-6-17(3)7-11-20/h6-13,16,21-22H,14-15H2,1-5H3/p+1/t21-/m0/s1