2-[(2S)-4-[(7-chloranyl-3-methyl-1H-indol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(7-chloranyl-3-methyl-1H-indol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(3-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(3-thiophenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(3-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C21H27ClN3OS+ MolecularWeight: 404.97658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=CC=C2Cl)C[NH+]3CCN(C(C3)CCO)CC4=CSC=C4

Isomeric SMILES

CC1=C(NC2=C1C=CC=C2Cl)C[NH+]3CCN([C@H](C3)CCO)CC4=CSC=C4

InChI

InChI=1S/C21H26ClN3OS/c1-15-18-3-2-4-19(22)21(18)23-20(15)13-24-7-8-25(17(12-24)5-9-26)11-16-6-10-27-14-16/h2-4,6,10,14,17,23,26H,5,7-9,11-13H2,1H3/p+1/t17-/m0/s1