5-(2-butoxyphenyl)sulfanyl-3-(1-propylpiperidin-4-yl)-1H-indole; prop-2-ynoate

Systemtic Name: 5-(2-butoxyphenyl)sulfanyl-3-(1-propylpiperidin-4-yl)-1H-indole; prop-2-ynoate Openeye Name: 5-(2-butoxyphenyl)sulfanyl-3-(1-propyl-4-piperidyl)-1H-indole; prop-2-ynoate CAS Name: 5-[(2-butoxyphenyl)thio]-3-(1-propyl-4-piperidinyl)-1H-indole; 2-propynoate IUPAC Name: 5-(2-butoxyphenyl)sulfanyl-3-(1-propylpiperidin-4-yl)-1H-indole; prop-2-ynoate Traditional Name: 5-[(2-butoxyphenyl)thio]-3-(1-propyl-4-piperidyl)-1H-indole; propiolate Formula: C29H35N2O3S- MolecularWeight: 491.6648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1SC2=CC3=C(C=C2)NC=C3C4CCN(CC4)CCC.C#CC(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=CC=C1SC2=CC3=C(C=C2)NC=C3C4CCN(CC4)CCC.C#CC(=O)[O-]

InChI

InChI=1S/C26H34N2OS.C3H2O2/c1-3-5-17-29-25-8-6-7-9-26(25)30-21-10-11-24-22(18-21)23(19-27-24)20-12-15-28(14-4-2)16-13-20;1-2-3(4)5/h6-11,18-20,27H,3-5,12-17H2,1-2H3;1H,(H,4,5)/p-1