2-[(2S)-4-[(1-ethylindol-3-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1-ethylindol-3-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-ethylindol-3-yl)methyl]-1-(3-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-ethyl-3-indolyl)methyl]-1-(3-thiophenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-ethylindol-3-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-ethylindol-3-yl)methyl]-1-(3-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C[NH+]3CCN(C(C3)CCO)CC4=CSC=C4

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C[NH+]3CCN([C@H](C3)CCO)CC4=CSC=C4

InChI

InChI=1S/C22H29N3OS/c1-2-24-15-19(21-5-3-4-6-22(21)24)14-23-9-10-25(20(16-23)7-11-26)13-18-8-12-27-17-18/h3-6,8,12,15,17,20,26H,2,7,9-11,13-14,16H2,1H3/p+1/t20-/m0/s1