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

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-[(4-methoxyphenyl)methyl]-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-p-anisyl-thiourea Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCCCC3

InChI

InChI=1S/C23H31N3O2S/c1-27-20-10-6-18(7-11-20)16-24-23(29)25-17-22(26-14-4-3-5-15-26)19-8-12-21(28-2)13-9-19/h6-13,22H,3-5,14-17H2,1-2H3,(H2,24,25,29)/p+1/t22-/m1/s1