3-(1-butylpiperidin-4-yl)-5-(2-methoxyphenyl)sulfanyl-1H-indole; 2-methylpropanoate

Systemtic Name: 3-(1-butylpiperidin-4-yl)-5-(2-methoxyphenyl)sulfanyl-1H-indole; 2-methylpropanoate Openeye Name: 3-(1-butyl-4-piperidyl)-5-(2-methoxyphenyl)sulfanyl-1H-indole; 2-methylpropanoate CAS Name: 3-(1-butyl-4-piperidinyl)-5-[(2-methoxyphenyl)thio]-1H-indole; 2-methylpropanoate IUPAC Name: 3-(1-butylpiperidin-4-yl)-5-(2-methoxyphenyl)sulfanyl-1H-indole; 2-methylpropanoate Traditional Name: 3-(1-butyl-4-piperidyl)-5-[(2-methoxyphenyl)thio]-1H-indole isobutyrate Formula: C28H37N2O3S- MolecularWeight: 481.66998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)C2=CNC3=C2C=C(C=C3)SC4=CC=CC=C4OC.CC(C)C(=O)[O-]

Isomeric SMILES

CCCCN1CCC(CC1)C2=CNC3=C2C=C(C=C3)SC4=CC=CC=C4OC.CC(C)C(=O)[O-]

InChI

InChI=1S/C24H30N2OS.C4H8O2/c1-3-4-13-26-14-11-18(12-15-26)21-17-25-22-10-9-19(16-20(21)22)28-24-8-6-5-7-23(24)27-2;1-3(2)4(5)6/h5-10,16-18,25H,3-4,11-15H2,1-2H3;3H,1-2H3,(H,5,6)/p-1