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

Systemtic Name: 1-(4-methylphenyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(p-tolyl)thiourea CAS Name: 1-(4-methylphenyl)-3-[(2S)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(4-methylphenyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(p-tolyl)thiourea Formula: C20H26N3S+ MolecularWeight: 340.50554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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