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

Systemtic Name: 3-(4-ethylphenyl)-1-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-(4-ethylphenyl)-1-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-1-(2-thienylmethyl)thiourea CAS Name: 3-(4-ethylphenyl)-1-[3-(3-methyl-1-piperidin-1-iumyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(4-ethylphenyl)-1-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-(4-ethylphenyl)-1-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-1-(2-thenyl)thiourea Formula: C23H34N3S2+ MolecularWeight: 416.66616

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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=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CCC[NH+]2CCCC(C2)C)CC3=CC=CS3

InChI

InChI=1S/C23H33N3S2/c1-3-20-9-11-21(12-10-20)24-23(27)26(18-22-8-5-16-28-22)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,24,27)/p+1