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

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(2,3-dimethylphenyl)-3-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(2,3-dimethylphenyl)-3-[(2S)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(2,3-dimethylphenyl)-3-[(2S)-2-(2-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(=CC=C1)NC(=S)NCC(C2=CC=CC=C2OC)[NH+]3CCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NC[C@H](C2=CC=CC=C2OC)[NH+]3CCCC3)C

InChI

InChI=1S/C22H29N3OS/c1-16-9-8-11-19(17(16)2)24-22(27)23-15-20(25-13-6-7-14-25)18-10-4-5-12-21(18)26-3/h4-5,8-12,20H,6-7,13-15H2,1-3H3,(H2,23,24,27)/p+1/t20-/m1/s1