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

Systemtic Name: 3-(3-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-(m-tolyl)-1-(2-thienylmethyl)thiourea CAS Name: 3-(3-methylphenyl)-1-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(3-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-(m-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(=C3)C

Isomeric SMILES

CC1CC[NH+](CC1)CCCN(CC2=CC=CS2)C(=S)NC3=CC=CC(=C3)C

InChI

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