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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCCC3)C

InChI

InChI=1S/C22H29N3OS/c1-16-6-9-19(14-17(16)2)24-22(27)23-15-21(25-12-4-5-13-25)18-7-10-20(26-3)11-8-18/h6-11,14,21H,4-5,12-13,15H2,1-3H3,(H2,23,24,27)/p+1/t21-/m1/s1