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

Systemtic Name: 1-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-ethoxyphenyl)thiourea Openeye Name: 1-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-ethoxyphenyl)thiourea CAS Name: 1-[(2S)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(4-ethoxyphenyl)thiourea IUPAC Name: 1-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-p-phenetyl-thiourea Formula: C21H27ClN3OS+ MolecularWeight: 404.97658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NCC(C2=CC=CC=C2Cl)[NH+]3CCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC[C@H](C2=CC=CC=C2Cl)[NH+]3CCCC3

InChI

InChI=1S/C21H26ClN3OS/c1-2-26-17-11-9-16(10-12-17)24-21(27)23-15-20(25-13-5-6-14-25)18-7-3-4-8-19(18)22/h3-4,7-12,20H,2,5-6,13-15H2,1H3,(H2,23,24,27)/p+1/t20-/m1/s1