4-[2-(azepan-1-ium-1-yl)ethyl]-N-(naphthalen-1-ylmethyl)aniline

Systemtic Name: 4-[2-(azepan-1-ium-1-yl)ethyl]-N-(naphthalen-1-ylmethyl)aniline Openeye Name: 4-[2-(azepan-1-ium-1-yl)ethyl]-N-(1-naphthylmethyl)aniline CAS Name: 4-[2-(1-azepan-1-iumyl)ethyl]-N-(1-naphthalenylmethyl)aniline IUPAC Name: 4-[2-(azepan-1-ium-1-yl)ethyl]-N-(naphthalen-1-ylmethyl)aniline Traditional Name: [4-[2-(azepan-1-ium-1-yl)ethyl]phenyl]-(1-naphthylmethyl)amine Formula: C25H31N2+ MolecularWeight: 359.52704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCC2=CC=C(C=C2)NCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCC[NH+](CC1)CCC2=CC=C(C=C2)NCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H30N2/c1-2-6-18-27(17-5-1)19-16-21-12-14-24(15-13-21)26-20-23-10-7-9-22-8-3-4-11-25(22)23/h3-4,7-15,26H,1-2,5-6,16-20H2/p+1