3-(4-methylphenyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 3-(4-methylphenyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-(3-piperidin-1-ium-1-ylpropyl)-3-(p-tolyl)-1-(2-thienylmethyl)thiourea CAS Name: 3-(4-methylphenyl)-1-[3-(1-piperidin-1-iumyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(4-methylphenyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-(3-piperidin-1-ium-1-ylpropyl)-3-(p-tolyl)-1-(2-thenyl)thiourea Formula: C21H30N3S2+ MolecularWeight: 388.613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N(CCC[NH+]2CCCCC2)CC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N(CCC[NH+]2CCCCC2)CC3=CC=CS3

InChI

InChI=1S/C21H29N3S2/c1-18-8-10-19(11-9-18)22-21(25)24(17-20-7-5-16-26-20)15-6-14-23-12-3-2-4-13-23/h5,7-11,16H,2-4,6,12-15,17H2,1H3,(H,22,25)/p+1