1-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(2-methylphenyl)thiourea Openeye Name: 1-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(o-tolyl)thiourea CAS Name: 1-[(2S)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(2-methylphenyl)thiourea Traditional Name: 1-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(o-tolyl)thiourea Formula: C20H25ClN3S+ MolecularWeight: 374.9506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NCC(C2=CC=CC=C2Cl)[NH+]3CCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC[C@H](C2=CC=CC=C2Cl)[NH+]3CCCC3

InChI

InChI=1S/C20H24ClN3S/c1-15-8-2-5-11-18(15)23-20(25)22-14-19(24-12-6-7-13-24)16-9-3-4-10-17(16)21/h2-5,8-11,19H,6-7,12-14H2,1H3,(H2,22,23,25)/p+1/t19-/m1/s1