5-bromanyl-2-methyl-3-[1-(phenylmethyl)piperidin-4-yl]sulfanyl-1H-indole hydrochloride

Systemtic Name: 5-bromanyl-2-methyl-3-[1-(phenylmethyl)piperidin-4-yl]sulfanyl-1H-indole hydrochloride Openeye Name: 3-[(1-benzyl-4-piperidyl)sulfanyl]-5-bromo-2-methyl-1H-indole hydrochloride CAS Name: 5-bromo-2-methyl-3-[[1-(phenylmethyl)-4-piperidinyl]thio]-1H-indole hydrochloride IUPAC Name: 3-(1-benzylpiperidin-4-yl)sulfanyl-5-bromo-2-methyl-1H-indole hydrochloride Traditional Name: 3-[(1-benzyl-4-piperidyl)thio]-5-bromo-2-methyl-1H-indole hydrochloride Formula: C21H24BrClN2S MolecularWeight: 451.85066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)Br)SC3CCN(CC3)CC4=CC=CC=C4.Cl

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)Br)SC3CCN(CC3)CC4=CC=CC=C4.Cl

InChI

InChI=1S/C21H23BrN2S.ClH/c1-15-21(19-13-17(22)7-8-20(19)23-15)25-18-9-11-24(12-10-18)14-16-5-3-2-4-6-16;/h2-8,13,18,23H,9-12,14H2,1H3;1H