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

Systemtic Name: 1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-(2-furylmethyl)-1-(1-isopropylpiperidin-1-ium-4-yl)-3-(4-methoxyphenyl)thiourea CAS Name: 1-(2-furanylmethyl)-3-(4-methoxyphenyl)-1-(1-propan-2-yl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-(2-furfuryl)-1-(1-isopropylpiperidin-1-ium-4-yl)-3-(4-methoxyphenyl)thiourea Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)N(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)N(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H29N3O2S/c1-16(2)23-12-10-18(11-13-23)24(15-20-5-4-14-26-20)21(27)22-17-6-8-19(25-3)9-7-17/h4-9,14,16,18H,10-13,15H2,1-3H3,(H,22,27)/p+1