3-(3,4-dimethylphenyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 3-(3,4-dimethylphenyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-(3,4-dimethylphenyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(2-thienylmethyl)thiourea CAS Name: 3-(3,4-dimethylphenyl)-1-[3-(1-piperidin-1-iumyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(3,4-dimethylphenyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-(3,4-dimethylphenyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(2-thenyl)thiourea Formula: C22H32N3S2+ MolecularWeight: 402.63958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CCC[NH+]2CCCCC2)CC3=CC=CS3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CCC[NH+]2CCCCC2)CC3=CC=CS3)C

InChI

InChI=1S/C22H31N3S2/c1-18-9-10-20(16-19(18)2)23-22(26)25(17-21-8-6-15-27-21)14-7-13-24-11-4-3-5-12-24/h6,8-10,15-16H,3-5,7,11-14,17H2,1-2H3,(H,23,26)/p+1