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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCCCC2)N3CC[NH2+]CC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCCCC2)N3CC[NH2+]CC3

InChI

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