[(2S)-2-[(phenylmethyl)-propan-2-yl-amino]-2-(4-propan-2-ylphenyl)ethyl]azanium

Systemtic Name: [(2S)-2-[(phenylmethyl)-propan-2-yl-amino]-2-(4-propan-2-ylphenyl)ethyl]azanium Openeye Name: [(2S)-2-[benzyl(isopropyl)amino]-2-(4-isopropylphenyl)ethyl]ammonium CAS Name: [(2S)-2-[(phenylmethyl)-propan-2-ylamino]-2-(4-propan-2-ylphenyl)ethyl]ammonium IUPAC Name: [(2S)-2-[benzyl(propan-2-yl)amino]-2-(4-propan-2-ylphenyl)ethyl]azanium Traditional Name: [(2S)-2-[benzyl(isopropyl)amino]-2-p-cumenyl-ethyl]ammonium Formula: C21H31N2+ MolecularWeight: 311.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C[NH3+])N(CC2=CC=CC=C2)C(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@@H](C[NH3+])N(CC2=CC=CC=C2)C(C)C

InChI

InChI=1S/C21H30N2/c1-16(2)19-10-12-20(13-11-19)21(14-22)23(17(3)4)15-18-8-6-5-7-9-18/h5-13,16-17,21H,14-15,22H2,1-4H3/p+1/t21-/m1/s1