5-(3-ethoxyphenyl)sulfanyl-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1H-indole; hexanoate

Systemtic Name: 5-(3-ethoxyphenyl)sulfanyl-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1H-indole; hexanoate Openeye Name: 5-(3-ethoxyphenyl)sulfanyl-3-(1-isobutyl-4-piperidyl)-2-methyl-1H-indole; hexanoate CAS Name: 5-[(3-ethoxyphenyl)thio]-2-methyl-3-[1-(2-methylpropyl)-4-piperidinyl]-1H-indole; hexanoate IUPAC Name: 5-(3-ethoxyphenyl)sulfanyl-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1H-indole; hexanoate Traditional Name: hexanoate; 3-(1-isobutyl-4-piperidyl)-2-methyl-5-(m-phenetylthio)-1H-indole Formula: C32H45N2O3S- MolecularWeight: 537.7763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)[O-].CCOC1=CC(=CC=C1)SC2=CC3=C(C=C2)NC(=C3C4CCN(CC4)CC(C)C)C

Isomeric SMILES

CCCCCC(=O)[O-].CCOC1=CC(=CC=C1)SC2=CC3=C(C=C2)NC(=C3C4CCN(CC4)CC(C)C)C

InChI

InChI=1S/C26H34N2OS.C6H12O2/c1-5-29-21-7-6-8-22(15-21)30-23-9-10-25-24(16-23)26(19(4)27-25)20-11-13-28(14-12-20)17-18(2)3;1-2-3-4-5-6(7)8/h6-10,15-16,18,20,27H,5,11-14,17H2,1-4H3;2-5H2,1H3,(H,7,8)/p-1