dimethyl-[3-[(4-piperidin-1-ylphenyl)carbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[(4-piperidin-1-ylphenyl)carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[4-(1-piperidyl)phenyl]carbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[[4-(1-piperidinyl)anilino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(4-piperidin-1-ylphenyl)carbamothioylamino]propyl]azanium Traditional Name: dimethyl-[3-[(4-piperidinophenyl)thiocarbamoylamino]propyl]ammonium Formula: C17H29N4S+ MolecularWeight: 321.50396

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=CC=C(C=C1)N2CCCCC2

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=CC=C(C=C1)N2CCCCC2

InChI

InChI=1S/C17H28N4S/c1-20(2)12-6-11-18-17(22)19-15-7-9-16(10-8-15)21-13-4-3-5-14-21/h7-10H,3-6,11-14H2,1-2H3,(H2,18,19,22)/p+1