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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)SC4=CC=CC=C4Cl.C=CC(=O)[O-]

Isomeric SMILES

CC(C)(C)CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)SC4=CC=CC=C4Cl.C=CC(=O)[O-]

InChI

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