2-(azepan-1-ium-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-(azepan-1-ium-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-(azepan-1-ium-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-(1-azepan-1-iumyl)-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-(azepan-1-ium-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-(azepan-1-ium-1-yl)-1-(4-phenylpiperazino)ethanone Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H27N3O/c22-18(16-19-10-6-1-2-7-11-19)21-14-12-20(13-15-21)17-8-4-3-5-9-17/h3-5,8-9H,1-2,6-7,10-16H2/p+1