dimethyl-[2-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamothioyl]amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamothioyl]amino]ethyl]azanium Openeye Name: dimethyl-[2-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamothioyl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[[[methyl-[[2-(1-pyrrolidinyl)phenyl]methyl]amino]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamothioyl]amino]ethyl]azanium Traditional Name: dimethyl-[2-[[methyl-(2-pyrrolidinobenzyl)thiocarbamoyl]amino]ethyl]ammonium Formula: C17H29N4S+ MolecularWeight: 321.50396

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)N(C)CC1=CC=CC=C1N2CCCC2

Isomeric SMILES

C[NH+](C)CCNC(=S)N(C)CC1=CC=CC=C1N2CCCC2

InChI

InChI=1S/C17H28N4S/c1-19(2)13-10-18-17(22)20(3)14-15-8-4-5-9-16(15)21-11-6-7-12-21/h4-5,8-9H,6-7,10-14H2,1-3H3,(H,18,22)/p+1