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

Systemtic Name: 1-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-methoxyphenyl)thiourea Openeye Name: 1-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[(2S)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-methoxyphenyl)thiourea Formula: C20H25ClN3OS+ MolecularWeight: 390.95

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NCC(C2=CC=CC=C2Cl)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NC[C@H](C2=CC=CC=C2Cl)[NH+]3CCCC3

InChI

InChI=1S/C20H24ClN3OS/c1-25-16-10-8-15(9-11-16)23-20(26)22-14-19(24-12-4-5-13-24)17-6-2-3-7-18(17)21/h2-3,6-11,19H,4-5,12-14H2,1H3,(H2,22,23,26)/p+1/t19-/m1/s1