3-[(1S)-1-(azepan-1-ium-1-yl)-2-methyl-propyl]aniline

Systemtic Name: 3-[(1S)-1-(azepan-1-ium-1-yl)-2-methyl-propyl]aniline Openeye Name: 3-[(1S)-1-(azepan-1-ium-1-yl)-2-methyl-propyl]aniline CAS Name: 3-[(1S)-1-(1-azepan-1-iumyl)-2-methylpropyl]aniline IUPAC Name: 3-[(1S)-1-(azepan-1-ium-1-yl)-2-methylpropyl]aniline Traditional Name: [3-[(1S)-1-(azepan-1-ium-1-yl)-2-methyl-propyl]phenyl]amine Formula: C16H27N2+ MolecularWeight: 247.39898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2/c1-13(2)16(14-8-7-9-15(17)12-14)18-10-5-3-4-6-11-18/h7-9,12-13,16H,3-6,10-11,17H2,1-2H3/p+1/t16-/m0/s1