[(1S)-1-(4-tert-butylphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(1S)-1-(4-tert-butylphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium Openeye Name: [(1S)-1-(4-tert-butylphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium CAS Name: [(1S)-1-(4-tert-butylphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium IUPAC Name: [(1S)-1-(4-tert-butylphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium Traditional Name: [(1S)-1-(4-tert-butylphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium Formula: C18H33N3+2 MolecularWeight: 291.47472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CN2CCC[NH+](CC2)C)[NH3+]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@@H](CN2CCC[NH+](CC2)C)[NH3+]

InChI

InChI=1S/C18H31N3/c1-18(2,3)16-8-6-15(7-9-16)17(19)14-21-11-5-10-20(4)12-13-21/h6-9,17H,5,10-14,19H2,1-4H3/p+2/t17-/m1/s1