2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone

Systemtic Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone Openeye Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[(3S)-3-methyl-1-piperidyl]ethanone CAS Name: 2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-[(3S)-3-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone Traditional Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[(3S)-3-methylpiperidino]ethanone Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C18H27N3O2/c1-15-5-4-8-21(13-15)18(23)14-19-9-11-20(12-10-19)16-6-2-3-7-17(16)22/h2-3,6-7,15,22H,4-5,8-14H2,1H3/p+1/t15-/m0/s1