1-(furan-2-ylmethyl)-3-(4-methylphenyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-3-(4-methylphenyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-(2-furylmethyl)-1-(1-isopropylpiperidin-1-ium-4-yl)-3-(p-tolyl)thiourea CAS Name: 1-(2-furanylmethyl)-3-(4-methylphenyl)-1-(1-propan-2-yl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-(4-methylphenyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-(2-furfuryl)-1-(1-isopropylpiperidin-1-ium-4-yl)-3-(p-tolyl)thiourea Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N(CC2=CC=CO2)C3CC[NH+](CC3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N(CC2=CC=CO2)C3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C21H29N3OS/c1-16(2)23-12-10-19(11-13-23)24(15-20-5-4-14-25-20)21(26)22-18-8-6-17(3)7-9-18/h4-9,14,16,19H,10-13,15H2,1-3H3,(H,22,26)/p+1