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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CCC[NH+]2CCC(CC2)C)CC3=CC=CO3

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CCC[NH+]2CCC(CC2)C)CC3=CC=CO3

InChI

InChI=1S/C23H33N3OS/c1-3-20-8-4-5-10-22(20)24-23(28)26(18-21-9-6-17-27-21)14-7-13-25-15-11-19(2)12-16-25/h4-6,8-10,17,19H,3,7,11-16,18H2,1-2H3,(H,24,28)/p+1