1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(2-methylprop-2-enyl)thiourea

Systemtic Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(2-methylprop-2-enyl)thiourea Openeye Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(2-methylallyl)thiourea CAS Name: 1-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-(2-methylprop-2-enyl)thiourea IUPAC Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3-(2-methylprop-2-enyl)thiourea Traditional Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(2-methylallyl)thiourea Formula: C19H30N3OS+ MolecularWeight: 348.526

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)NCC(C1=CC=C(C=C1)OC)[NH+]2CCCCC2

Isomeric SMILES

CC(=C)CNC(=S)NC[C@@H](C1=CC=C(C=C1)OC)[NH+]2CCCCC2

InChI

InChI=1S/C19H29N3OS/c1-15(2)13-20-19(24)21-14-18(22-11-5-4-6-12-22)16-7-9-17(23-3)10-8-16/h7-10,18H,1,4-6,11-14H2,2-3H3,(H2,20,21,24)/p+1/t18-/m0/s1