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

Systemtic Name: 1-(3-methylphenyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(m-tolyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(3-methylphenyl)-3-[(2S)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(3-methylphenyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(m-tolyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Formula: C20H26N3S+ MolecularWeight: 340.50554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3S/c1-16-8-7-11-18(14-16)22-20(24)21-15-19(23-12-5-6-13-23)17-9-3-2-4-10-17/h2-4,7-11,14,19H,5-6,12-13,15H2,1H3,(H2,21,22,24)/p+1/t19-/m1/s1