1-ethyl-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea

Systemtic Name: 1-ethyl-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-ethyl-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-ethyl-3-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-ethyl-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-ethyl-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Formula: C17H28N3OS+ MolecularWeight: 322.48872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3OS/c1-3-18-17(22)19-13-16(20-11-5-4-6-12-20)14-7-9-15(21-2)10-8-14/h7-10,16H,3-6,11-13H2,1-2H3,(H2,18,19,22)/p+1/t16-/m1/s1