3-(2,6-dimethylphenyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 3-(2,6-dimethylphenyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-(2,6-dimethylphenyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)-1-(2-thienylmethyl)thiourea CAS Name: 3-(2,6-dimethylphenyl)-1-[3-(1-pyrrolidin-1-iumyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(2,6-dimethylphenyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-(2,6-dimethylphenyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)-1-(2-thenyl)thiourea Formula: C21H30N3S2+ MolecularWeight: 388.613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)N(CCC[NH+]2CCCC2)CC3=CC=CS3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N(CCC[NH+]2CCCC2)CC3=CC=CS3

InChI

InChI=1S/C21H29N3S2/c1-17-8-5-9-18(2)20(17)22-21(25)24(16-19-10-6-15-26-19)14-7-13-23-11-3-4-12-23/h5-6,8-10,15H,3-4,7,11-14,16H2,1-2H3,(H,22,25)/p+1