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

Systemtic Name: 3-(4-chloranyl-3-methyl-phenyl)-1-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-(4-chloro-3-methyl-phenyl)-1-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-1-(2-thienylmethyl)thiourea CAS Name: 3-(4-chloro-3-methylphenyl)-1-[3-(3-methyl-1-piperidin-1-iumyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(4-chloro-3-methylphenyl)-1-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-(4-chloro-3-methyl-phenyl)-1-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-1-(2-thenyl)thiourea Formula: C22H31ClN3S2+ MolecularWeight: 437.08464

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCN(CC2=CC=CS2)C(=S)NC3=CC(=C(C=C3)Cl)C

Isomeric SMILES

CC1CCC[NH+](C1)CCCN(CC2=CC=CS2)C(=S)NC3=CC(=C(C=C3)Cl)C

InChI

InChI=1S/C22H30ClN3S2/c1-17-6-3-10-25(15-17)11-5-12-26(16-20-7-4-13-28-20)22(27)24-19-8-9-21(23)18(2)14-19/h4,7-9,13-14,17H,3,5-6,10-12,15-16H2,1-2H3,(H,24,27)/p+1