(2S)-2-(azepan-1-ium-1-yl)-2-(3-hydroxyphenyl)-1-piperazin-1-yl-ethanone

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-2-(3-hydroxyphenyl)-1-piperazin-1-yl-ethanone Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-2-(3-hydroxyphenyl)-1-piperazin-1-yl-ethanone CAS Name: (2S)-2-(1-azepan-1-iumyl)-2-(3-hydroxyphenyl)-1-(1-piperazinyl)ethanone IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-2-(3-hydroxyphenyl)-1-piperazin-1-ylethanone Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-2-(3-hydroxyphenyl)-1-piperazino-ethanone Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C2=CC(=CC=C2)O)C(=O)N3CCNCC3

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](C2=CC(=CC=C2)O)C(=O)N3CCNCC3

InChI

InChI=1S/C18H27N3O2/c22-16-7-5-6-15(14-16)17(20-10-3-1-2-4-11-20)18(23)21-12-8-19-9-13-21/h5-7,14,17,19,22H,1-4,8-13H2/p+1/t17-/m0/s1