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

Systemtic Name: 1-(4-ethylphenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(4-ethylphenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(4-ethylphenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(4-ethylphenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(4-ethylphenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Formula: C23H32N3OS+ MolecularWeight: 398.58468

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC[C@@H](C2=CC=C(C=C2)OC)[NH+]3CCCCC3

InChI

InChI=1S/C23H31N3OS/c1-3-18-7-11-20(12-8-18)25-23(28)24-17-22(26-15-5-4-6-16-26)19-9-13-21(27-2)14-10-19/h7-14,22H,3-6,15-17H2,1-2H3,(H2,24,25,28)/p+1/t22-/m0/s1