potassium (2S)-2-[[4-(dimethylamino)-4-thiophen-2-yl-cyclohexyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: potassium (2S)-2-[[4-(dimethylamino)-4-thiophen-2-yl-cyclohexyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: potassium (2S)-2-[[4-(dimethylamino)-4-(2-thienyl)cyclohexyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: potassium (2S)-2-[[4-(dimethylamino)-4-thiophen-2-ylcyclohexyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: potassium (2S)-2-[[4-(dimethylamino)-4-thiophen-2-ylcyclohexyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: potassium (2S)-2-[[4-(dimethylamino)-4-(2-thienyl)cyclohexyl]amino]-3-(1H-indol-3-yl)propionate Formula: C23H28KN3O2S MolecularWeight: 449.65062

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCC(CC1)NC(CC2=CNC3=CC=CC=C32)C(=O)[O-])C4=CC=CS4.[K+]

Isomeric SMILES

CN(C)C1(CCC(CC1)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)[O-])C4=CC=CS4.[K+]

InChI

InChI=1S/C23H29N3O2S.K/c1-26(2)23(21-8-5-13-29-21)11-9-17(10-12-23)25-20(22(27)28)14-16-15-24-19-7-4-3-6-18(16)19;/h3-8,13,15,17,20,24-25H,9-12,14H2,1-2H3,(H,27,28);/q;+1/p-1/t17?,20-,23?;/m0./s1