4-[(1S)-1-(azepan-1-ium-1-yl)ethyl]aniline

Systemtic Name: 4-[(1S)-1-(azepan-1-ium-1-yl)ethyl]aniline Openeye Name: 4-[(1S)-1-(azepan-1-ium-1-yl)ethyl]aniline CAS Name: 4-[(1S)-1-(1-azepan-1-iumyl)ethyl]aniline IUPAC Name: 4-[(1S)-1-(azepan-1-ium-1-yl)ethyl]aniline Traditional Name: [4-[(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=C(C=C1)N)[NH+]2CCCCCC2

Isomeric SMILES

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

InChI

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