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

Systemtic Name: 3-(2-methylphenyl)-1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-(o-tolyl)-1-(2-thienylmethyl)thiourea CAS Name: 3-(2-methylphenyl)-1-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(2-methylphenyl)-1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-(o-tolyl)-1-(2-thenyl)thiourea Formula: C22H32N3S2+ MolecularWeight: 402.63958

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCN(CC2=CC=CS2)C(=S)NC3=CC=CC=C3C

Isomeric SMILES

CC1CC[NH+](CC1)CCCN(CC2=CC=CS2)C(=S)NC3=CC=CC=C3C

InChI

InChI=1S/C22H31N3S2/c1-18-10-14-24(15-11-18)12-6-13-25(17-20-8-5-16-27-20)22(26)23-21-9-4-3-7-19(21)2/h3-5,7-9,16,18H,6,10-15,17H2,1-2H3,(H,23,26)/p+1