azepan-1-yl-(4-piperazin-4-ium-1-ylphenyl)methanone

Systemtic Name: azepan-1-yl-(4-piperazin-4-ium-1-ylphenyl)methanone Openeye Name: azepan-1-yl-(4-piperazin-4-ium-1-ylphenyl)methanone CAS Name: 1-azepanyl-[4-(1-piperazin-4-iumyl)phenyl]methanone IUPAC Name: azepan-1-yl-(4-piperazin-4-ium-1-ylphenyl)methanone Traditional Name: azepan-1-yl-(4-piperazin-4-ium-1-ylphenyl)methanone Formula: C17H26N3O+ MolecularWeight: 288.40784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O/c21-17(20-11-3-1-2-4-12-20)15-5-7-16(8-6-15)19-13-9-18-10-14-19/h5-8,18H,1-4,9-14H2/p+1