2-[(2S)-4-(dibenzothiophen-4-ylmethyl)-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(dibenzothiophen-4-ylmethyl)-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(dibenzothiophen-4-ylmethyl)-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(4-dibenzothiophenylmethyl)-1-(1-methyl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(dibenzothiophen-4-ylmethyl)-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(dibenzothiophen-4-ylmethyl)-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C25H34N3OS+ MolecularWeight: 424.62196

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC=CC4=C3SC5=CC=CC=C45

Isomeric SMILES

CN1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC=CC4=C3SC5=CC=CC=C45

InChI

InChI=1S/C25H33N3OS/c1-26-12-9-20(10-13-26)28-15-14-27(18-21(28)11-16-29)17-19-5-4-7-23-22-6-2-3-8-24(22)30-25(19)23/h2-8,20-21,29H,9-18H2,1H3/p+1/t21-/m0/s1