azepan-1-yl-(2-methyl-3-piperazin-4-ium-1-yl-phenyl)methanone

Systemtic Name: azepan-1-yl-(2-methyl-3-piperazin-4-ium-1-yl-phenyl)methanone Openeye Name: azepan-1-yl-(2-methyl-3-piperazin-4-ium-1-yl-phenyl)methanone CAS Name: 1-azepanyl-[2-methyl-3-(1-piperazin-4-iumyl)phenyl]methanone IUPAC Name: azepan-1-yl-(2-methyl-3-piperazin-4-ium-1-ylphenyl)methanone Traditional Name: azepan-1-yl-(2-methyl-3-piperazin-4-ium-1-yl-phenyl)methanone Formula: C18H28N3O+ MolecularWeight: 302.43442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N2CC[NH2+]CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC=C1N2CC[NH2+]CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C18H27N3O/c1-15-16(18(22)21-11-4-2-3-5-12-21)7-6-8-17(15)20-13-9-19-10-14-20/h6-8,19H,2-5,9-14H2,1H3/p+1