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

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]thiourea Openeye Name: 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(2,3-dimethylphenyl)thiourea CAS Name: 1-(2,3-dimethylphenyl)-3-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]thiourea IUPAC Name: 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(2,3-dimethylphenyl)thiourea Traditional Name: 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(2,3-dimethylphenyl)thiourea Formula: C20H26N3S+ MolecularWeight: 340.50554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NC2CC[NH+](C2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H25N3S/c1-15-7-6-10-19(16(15)2)22-20(24)21-18-11-12-23(14-18)13-17-8-4-3-5-9-17/h3-10,18H,11-14H2,1-2H3,(H2,21,22,24)/p+1/t18-/m0/s1