[(3S)-3-(azepan-1-ium-1-yl)-3-(4-tert-butylphenyl)propyl]azanium

Systemtic Name: [(3S)-3-(azepan-1-ium-1-yl)-3-(4-tert-butylphenyl)propyl]azanium Openeye Name: [(3S)-3-(azepan-1-ium-1-yl)-3-(4-tert-butylphenyl)propyl]ammonium CAS Name: [(3S)-3-(1-azepan-1-iumyl)-3-(4-tert-butylphenyl)propyl]ammonium IUPAC Name: [(3S)-3-(azepan-1-ium-1-yl)-3-(4-tert-butylphenyl)propyl]azanium Traditional Name: [(3S)-3-(azepan-1-ium-1-yl)-3-(4-tert-butylphenyl)propyl]ammonium Formula: C19H34N2+2 MolecularWeight: 290.48666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CC[NH3+])[NH+]2CCCCCC2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H](CC[NH3+])[NH+]2CCCCCC2

InChI

InChI=1S/C19H32N2/c1-19(2,3)17-10-8-16(9-11-17)18(12-13-20)21-14-6-4-5-7-15-21/h8-11,18H,4-7,12-15,20H2,1-3H3/p+2/t18-/m0/s1