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

Systemtic Name: 3-[(1S)-1-(azepan-1-ium-1-yl)propyl]aniline Openeye Name: 3-[(1S)-1-(azepan-1-ium-1-yl)propyl]aniline CAS Name: 3-[(1S)-1-(1-azepan-1-iumyl)propyl]aniline IUPAC Name: 3-[(1S)-1-(azepan-1-ium-1-yl)propyl]aniline Traditional Name: [3-[(1S)-1-(azepan-1-ium-1-yl)propyl]phenyl]amine Formula: C15H25N2+ MolecularWeight: 233.3724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2/c1-2-15(13-8-7-9-14(16)12-13)17-10-5-3-4-6-11-17/h7-9,12,15H,2-6,10-11,16H2,1H3/p+1/t15-/m0/s1