1-(3-piperidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)-3-(2,4,6-trimethylphenyl)thiourea

Systemtic Name: 1-(3-piperidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)-3-(2,4,6-trimethylphenyl)thiourea Openeye Name: 1-(3-piperidin-1-ium-1-ylpropyl)-1-(2-thienylmethyl)-3-(2,4,6-trimethylphenyl)thiourea CAS Name: 1-[3-(1-piperidin-1-iumyl)propyl]-1-(thiophen-2-ylmethyl)-3-(2,4,6-trimethylphenyl)thiourea IUPAC Name: 1-(3-piperidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)-3-(2,4,6-trimethylphenyl)thiourea Traditional Name: 3-mesityl-1-(3-piperidin-1-ium-1-ylpropyl)-1-(2-thenyl)thiourea Formula: C23H34N3S2+ MolecularWeight: 416.66616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3S2/c1-18-15-19(2)22(20(3)16-18)24-23(27)26(17-21-9-7-14-28-21)13-8-12-25-10-5-4-6-11-25/h7,9,14-16H,4-6,8,10-13,17H2,1-3H3,(H,24,27)/p+1