dimethyl-[3-[(4-pentylphenyl)carbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[(4-pentylphenyl)carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[(4-pentylphenyl)carbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[(4-pentylanilino)-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(4-pentylphenyl)carbamothioylamino]propyl]azanium Traditional Name: 3-[(4-amylphenyl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C17H30N3S+ MolecularWeight: 308.5052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=S)NCCC[NH+](C)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C17H29N3S/c1-4-5-6-8-15-9-11-16(12-10-15)19-17(21)18-13-7-14-20(2)3/h9-12H,4-8,13-14H2,1-3H3,(H2,18,19,21)/p+1