3-(azepan-1-ium-1-ylmethyl)-2-methyl-1H-indole

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-2-methyl-1H-indole Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-2-methyl-1H-indole CAS Name: 3-(1-azepan-1-iumylmethyl)-2-methyl-1H-indole IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-2-methyl-1H-indole Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-2-methyl-1H-indole Formula: C16H23N2+ MolecularWeight: 243.36722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C[NH+]3CCCCCC3

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C[NH+]3CCCCCC3

InChI

InChI=1S/C16H22N2/c1-13-15(12-18-10-6-2-3-7-11-18)14-8-4-5-9-16(14)17-13/h4-5,8-9,17H,2-3,6-7,10-12H2,1H3/p+1