5-[1-(2-chlorophenyl)sulfanyl-3-(2,2-dimethylpropyl)piperidin-4-yl]-1H-indole; prop-2-enoate

Systemtic Name: 5-[1-(2-chlorophenyl)sulfanyl-3-(2,2-dimethylpropyl)piperidin-4-yl]-1H-indole; prop-2-enoate Openeye Name: 5-[1-(2-chlorophenyl)sulfanyl-3-(2,2-dimethylpropyl)-4-piperidyl]-1H-indole; prop-2-enoate CAS Name: 5-[1-[(2-chlorophenyl)thio]-3-(2,2-dimethylpropyl)-4-piperidinyl]-1H-indole; 2-propenoate IUPAC Name: 5-[1-(2-chlorophenyl)sulfanyl-3-(2,2-dimethylpropyl)piperidin-4-yl]-1H-indole; prop-2-enoate Traditional Name: acrylate; 5-[1-[(2-chlorophenyl)thio]-3-neopentyl-4-piperidyl]-1H-indole Formula: C27H32ClN2O2S- MolecularWeight: 484.07318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1CN(CCC1C2=CC3=C(C=C2)NC=C3)SC4=CC=CC=C4Cl.C=CC(=O)[O-]

Isomeric SMILES

CC(C)(C)CC1CN(CCC1C2=CC3=C(C=C2)NC=C3)SC4=CC=CC=C4Cl.C=CC(=O)[O-]

InChI

InChI=1S/C24H29ClN2S.C3H4O2/c1-24(2,3)15-19-16-27(28-23-7-5-4-6-21(23)25)13-11-20(19)17-8-9-22-18(14-17)10-12-26-22;1-2-3(4)5/h4-10,12,14,19-20,26H,11,13,15-16H2,1-3H3;2H,1H2,(H,4,5)/p-1