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

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

CCC1=CC=C(C=C1)NC(=S)N(CCC[NH+]2CCCC(C2)C)CC3=CC=CO3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CCC[NH+]2CCCC(C2)C)CC3=CC=CO3

InChI

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