2-[(2S)-4-(1-phenylpiperidin-4-yl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1-phenylpiperidin-4-yl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1-phenyl-4-piperidyl)-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1-phenyl-4-piperidinyl)-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1-phenylpiperidin-4-yl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1-phenyl-4-piperidyl)-1-(2-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C22H32N3OS+ MolecularWeight: 386.57398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+]2CCN(C(C2)CCO)CC3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH+]2CCN([C@H](C2)CCO)CC3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H31N3OS/c26-15-10-21-17-24(13-14-25(21)18-22-7-4-16-27-22)20-8-11-23(12-9-20)19-5-2-1-3-6-19/h1-7,16,20-21,26H,8-15,17-18H2/p+1/t21-/m0/s1