(1S)-2-(azepan-1-ium-1-yl)-1-naphthalen-2-yl-ethanamine

Systemtic Name: (1S)-2-(azepan-1-ium-1-yl)-1-naphthalen-2-yl-ethanamine Openeye Name: (1S)-2-(azepan-1-ium-1-yl)-1-(2-naphthyl)ethanamine CAS Name: (1S)-2-(1-azepan-1-iumyl)-1-(2-naphthalenyl)ethanamine IUPAC Name: (1S)-2-(azepan-1-ium-1-yl)-1-naphthalen-2-ylethanamine Traditional Name: [(1S)-2-(azepan-1-ium-1-yl)-1-(2-naphthyl)ethyl]amine Formula: C18H25N2+ MolecularWeight: 269.4045

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(C2=CC3=CC=CC=C3C=C2)N

Isomeric SMILES

C1CCC[NH+](CC1)C[C@H](C2=CC3=CC=CC=C3C=C2)N

InChI

InChI=1S/C18H24N2/c19-18(14-20-11-5-1-2-6-12-20)17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13,18H,1-2,5-6,11-12,14,19H2/p+1/t18-/m1/s1