3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-[3-(3-methylpiperidin-1-ium-1-yl)propyl]thiourea

Systemtic Name: 3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-[3-(3-methylpiperidin-1-ium-1-yl)propyl]thiourea Openeye Name: 3-(3,4-dimethylphenyl)-1-(2-furylmethyl)-1-[3-(3-methylpiperidin-1-ium-1-yl)propyl]thiourea CAS Name: 3-(3,4-dimethylphenyl)-1-(2-furanylmethyl)-1-[3-(3-methyl-1-piperidin-1-iumyl)propyl]thiourea IUPAC Name: 3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-[3-(3-methylpiperidin-1-ium-1-yl)propyl]thiourea Traditional Name: 3-(3,4-dimethylphenyl)-1-(2-furfuryl)-1-[3-(3-methylpiperidin-1-ium-1-yl)propyl]thiourea Formula: C23H34N3OS+ MolecularWeight: 400.60056

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCN(CC2=CC=CO2)C(=S)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CC1CCC[NH+](C1)CCCN(CC2=CC=CO2)C(=S)NC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C23H33N3OS/c1-18-7-4-11-25(16-18)12-6-13-26(17-22-8-5-14-27-22)23(28)24-21-10-9-19(2)20(3)15-21/h5,8-10,14-15,18H,4,6-7,11-13,16-17H2,1-3H3,(H,24,28)/p+1