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

Systemtic Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-benzyl-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=S)NCC2=CC=CC=C2)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=S)NCC2=CC=CC=C2)[NH+]3CCCCC3

InChI

InChI=1S/C22H29N3OS/c1-26-20-12-10-19(11-13-20)21(25-14-6-3-7-15-25)17-24-22(27)23-16-18-8-4-2-5-9-18/h2,4-5,8-13,21H,3,6-7,14-17H2,1H3,(H2,23,24,27)/p+1/t21-/m0/s1