1-(3-methylphenyl)-3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]thiourea

Systemtic Name: 1-(3-methylphenyl)-3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]thiourea Openeye Name: 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(m-tolyl)thiourea CAS Name: 1-(3-methylphenyl)-3-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]thiourea IUPAC Name: 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(3-methylphenyl)thiourea Traditional Name: 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(m-tolyl)thiourea Formula: C19H24N3S+ MolecularWeight: 326.47896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NC2CC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N3S/c1-15-6-5-9-17(12-15)20-19(23)21-18-10-11-22(14-18)13-16-7-3-2-4-8-16/h2-9,12,18H,10-11,13-14H2,1H3,(H2,20,21,23)/p+1/t18-/m0/s1