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

Systemtic Name: 1-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(3-methylphenyl)thiourea Openeye Name: 1-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(m-tolyl)thiourea CAS Name: 1-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(3-methylphenyl)thiourea IUPAC Name: 1-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(3-methylphenyl)thiourea Traditional Name: 1-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(m-tolyl)thiourea Formula: C21H28N3OS+ MolecularWeight: 370.53152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCCC3

InChI

InChI=1S/C21H27N3OS/c1-16-6-5-7-18(14-16)23-21(26)22-15-20(24-12-3-4-13-24)17-8-10-19(25-2)11-9-17/h5-11,14,20H,3-4,12-13,15H2,1-2H3,(H2,22,23,26)/p+1/t20-/m1/s1