1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-(2-methylphenyl)thiourea Openeye Name: 1-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(o-tolyl)thiourea CAS Name: 1-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(2-methylphenyl)thiourea Traditional Name: 1-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(o-tolyl)thiourea Formula: C19H26N3OS+ MolecularWeight: 344.49424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NCC(C2=CC=CO2)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC[C@H](C2=CC=CO2)[NH+]3CCCCC3

InChI

InChI=1S/C19H25N3OS/c1-15-8-3-4-9-16(15)21-19(24)20-14-17(18-10-7-13-23-18)22-11-5-2-6-12-22/h3-4,7-10,13,17H,2,5-6,11-12,14H2,1H3,(H2,20,21,24)/p+1/t17-/m1/s1