2-(azepan-1-ium-1-yl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(azepan-1-ium-1-yl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-(azepan-1-ium-1-yl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-(1-azepan-1-iumyl)-1-[4-(4-hydroxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(azepan-1-ium-1-yl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-(azepan-1-ium-1-yl)-1-[4-(4-hydroxyphenyl)piperazino]ethanone Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2/c22-17-7-5-16(6-8-17)20-11-13-21(14-12-20)18(23)15-19-9-3-1-2-4-10-19/h5-8,22H,1-4,9-15H2/p+1