2-[(2S)-4-[(5-methylthiophen-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(5-methylthiophen-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-[(5-methyl-2-thienyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(5-methyl-2-thiophenyl)methyl]-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(5-methylthiophen-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-[(5-methyl-2-thienyl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C20H36N3OS+ MolecularWeight: 366.58434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN2CC[NH+](C(C2)CCO)C3CCN(CC3)C(C)C

Isomeric SMILES

CC1=CC=C(S1)CN2CC[NH+]([C@H](C2)CCO)C3CCN(CC3)C(C)C

InChI

InChI=1S/C20H35N3OS/c1-16(2)22-9-6-18(7-10-22)23-12-11-21(14-19(23)8-13-24)15-20-5-4-17(3)25-20/h4-5,16,18-19,24H,6-15H2,1-3H3/p+1/t19-/m0/s1