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

Systemtic Name: 1-(4-ethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(4-ethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(4-ethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(4-ethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(4-ethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Formula: C22H30N3OS+ MolecularWeight: 384.5581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCCC3

InChI

InChI=1S/C22H29N3OS/c1-3-17-6-10-19(11-7-17)24-22(27)23-16-21(25-14-4-5-15-25)18-8-12-20(26-2)13-9-18/h6-13,21H,3-5,14-16H2,1-2H3,(H2,23,24,27)/p+1/t21-/m1/s1