[(1S)-2-azaniumyl-1-(4-tert-butylphenyl)ethyl]-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(4-tert-butylphenyl)ethyl]-(phenylmethyl)-propan-2-yl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(4-tert-butylphenyl)ethyl]-benzyl-isopropyl-ammonium CAS Name: [(1S)-2-ammonio-1-(4-tert-butylphenyl)ethyl]-(phenylmethyl)-propan-2-ylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(4-tert-butylphenyl)ethyl]-benzyl-propan-2-ylazanium Traditional Name: [(1S)-2-ammonio-1-(4-tert-butylphenyl)ethyl]-benzyl-isopropyl-ammonium Formula: C22H34N2+2 MolecularWeight: 326.51876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC=CC=C1)C(C[NH3+])C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)[NH+](CC1=CC=CC=C1)[C@H](C[NH3+])C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H32N2/c1-17(2)24(16-18-9-7-6-8-10-18)21(15-23)19-11-13-20(14-12-19)22(3,4)5/h6-14,17,21H,15-16,23H2,1-5H3/p+2/t21-/m1/s1