1-(4-methylphenyl)-3-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]thiourea

Systemtic Name: 1-(4-methylphenyl)-3-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]thiourea Openeye Name: 1-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]-3-(p-tolyl)thiourea CAS Name: 1-(4-methylphenyl)-3-[[1-(1-phenylethyl)-3-pyrrolidin-1-iumyl]methyl]thiourea IUPAC Name: 1-(4-methylphenyl)-3-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]thiourea Traditional Name: 1-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]-3-(p-tolyl)thiourea Formula: C21H28N3S+ MolecularWeight: 354.53212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NCC2CC[NH+](C2)C(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NCC2CC[NH+](C2)C(C)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3S/c1-16-8-10-20(11-9-16)23-21(25)22-14-18-12-13-24(15-18)17(2)19-6-4-3-5-7-19/h3-11,17-18H,12-15H2,1-2H3,(H2,22,23,25)/p+1