2-[[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]-6-ethoxy-phenol

Systemtic Name: 2-[[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]-6-ethoxy-phenol Openeye Name: 2-[[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]methyl]-6-ethoxy-phenol CAS Name: 2-[[(3S)-3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methyl]-6-ethoxyphenol IUPAC Name: 2-[[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]-6-ethoxyphenol Traditional Name: 2-[[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidino]methyl]-6-ethoxy-phenol Formula: C24H33ClN3O2+ MolecularWeight: 430.99072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)CN2CCCC(C2)[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC1=CC=CC(=C1O)CN2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H32ClN3O2/c1-2-30-23-10-3-6-19(24(23)29)17-26-11-5-9-22(18-26)28-14-12-27(13-15-28)21-8-4-7-20(25)16-21/h3-4,6-8,10,16,22,29H,2,5,9,11-15,17-18H2,1H3/p+1/t22-/m0/s1