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

Systemtic Name: 1-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-benzyl-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=S)NCC2=CC=CC=C2)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=S)NCC2=CC=CC=C2)[NH+]3CCCC3

InChI

InChI=1S/C21H27N3OS/c1-25-19-11-9-18(10-12-19)20(24-13-5-6-14-24)16-23-21(26)22-15-17-7-3-2-4-8-17/h2-4,7-12,20H,5-6,13-16H2,1H3,(H2,22,23,26)/p+1/t20-/m0/s1