4-[2-(azepan-1-ium-1-yl)ethyl]-N-[(3-methoxyphenyl)methyl]aniline

Systemtic Name: 4-[2-(azepan-1-ium-1-yl)ethyl]-N-[(3-methoxyphenyl)methyl]aniline Openeye Name: 4-[2-(azepan-1-ium-1-yl)ethyl]-N-[(3-methoxyphenyl)methyl]aniline CAS Name: 4-[2-(1-azepan-1-iumyl)ethyl]-N-[(3-methoxyphenyl)methyl]aniline IUPAC Name: 4-[2-(azepan-1-ium-1-yl)ethyl]-N-[(3-methoxyphenyl)methyl]aniline Traditional Name: [4-[2-(azepan-1-ium-1-yl)ethyl]phenyl]-m-anisyl-amine Formula: C22H31N2O+ MolecularWeight: 339.49434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC2=CC=C(C=C2)CC[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)CNC2=CC=C(C=C2)CC[NH+]3CCCCCC3

InChI

InChI=1S/C22H30N2O/c1-25-22-8-6-7-20(17-22)18-23-21-11-9-19(10-12-21)13-16-24-14-4-2-3-5-15-24/h6-12,17,23H,2-5,13-16,18H2,1H3/p+1