3-[2-(azepan-1-ium-1-yl)ethyl]aniline

Systemtic Name: 3-[2-(azepan-1-ium-1-yl)ethyl]aniline Openeye Name: 3-[2-(azepan-1-ium-1-yl)ethyl]aniline CAS Name: 3-[2-(1-azepan-1-iumyl)ethyl]aniline IUPAC Name: 3-[2-(azepan-1-ium-1-yl)ethyl]aniline Traditional Name: [3-[2-(azepan-1-ium-1-yl)ethyl]phenyl]amine Formula: C14H23N2+ MolecularWeight: 219.34582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCC2=CC(=CC=C2)N

Isomeric SMILES

C1CCC[NH+](CC1)CCC2=CC(=CC=C2)N

InChI

InChI=1S/C14H22N2/c15-14-7-5-6-13(12-14)8-11-16-9-3-1-2-4-10-16/h5-7,12H,1-4,8-11,15H2/p+1