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

Systemtic Name: 1-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-phenethyl-thiourea Openeye Name: 1-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-phenethyl-thiourea CAS Name: 1-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-phenethylthiourea IUPAC Name: 1-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-phenethylthiourea Traditional Name: 1-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-phenethyl-thiourea Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=S)NCCC2=CC=CC=C2)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H](CNC(=S)NCCC2=CC=CC=C2)[NH+]3CCCC3

InChI

InChI=1S/C22H29N3OS/c1-26-20-11-9-19(10-12-20)21(25-15-5-6-16-25)17-24-22(27)23-14-13-18-7-3-2-4-8-18/h2-4,7-12,21H,5-6,13-17H2,1H3,(H2,23,24,27)/p+1/t21-/m1/s1