1-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]-3-(2,4,6-trimethylphenyl)thiourea

Systemtic Name: 1-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]-3-(2,4,6-trimethylphenyl)thiourea Openeye Name: 1-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]-3-(2,4,6-trimethylphenyl)thiourea CAS Name: 1-[[1-(1-phenylethyl)-3-pyrrolidin-1-iumyl]methyl]-3-(2,4,6-trimethylphenyl)thiourea IUPAC Name: 1-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]-3-(2,4,6-trimethylphenyl)thiourea Traditional Name: 1-mesityl-3-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]thiourea Formula: C23H32N3S+ MolecularWeight: 382.58528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3S/c1-16-12-17(2)22(18(3)13-16)25-23(27)24-14-20-10-11-26(15-20)19(4)21-8-6-5-7-9-21/h5-9,12-13,19-20H,10-11,14-15H2,1-4H3,(H2,24,25,27)/p+1