3-[(1S)-1-(azepan-1-ium-1-yl)ethyl]aniline

Systemtic Name: 3-[(1S)-1-(azepan-1-ium-1-yl)ethyl]aniline Openeye Name: 3-[(1S)-1-(azepan-1-ium-1-yl)ethyl]aniline CAS Name: 3-[(1S)-1-(1-azepan-1-iumyl)ethyl]aniline IUPAC Name: 3-[(1S)-1-(azepan-1-ium-1-yl)ethyl]aniline Traditional Name: [3-[(1S)-1-(azepan-1-ium-1-yl)ethyl]phenyl]amine Formula: C14H23N2+ MolecularWeight: 219.34582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2/c1-12(13-7-6-8-14(15)11-13)16-9-4-2-3-5-10-16/h6-8,11-12H,2-5,9-10,15H2,1H3/p+1/t12-/m0/s1