1-(azepan-1-yl)-2-(3-piperazin-4-ium-1-ylphenyl)ethanone

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CC2=CC(=CC=C2)N3CC[NH2+]CC3

Isomeric SMILES

C1CCCN(CC1)C(=O)CC2=CC(=CC=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C18H27N3O/c22-18(21-10-3-1-2-4-11-21)15-16-6-5-7-17(14-16)20-12-8-19-9-13-20/h5-7,14,19H,1-4,8-13,15H2/p+1