[3-[(4-butylphenyl)carbamothioylamino]-2,2-dimethyl-propyl]-dimethyl-azanium

Systemtic Name: [3-[(4-butylphenyl)carbamothioylamino]-2,2-dimethyl-propyl]-dimethyl-azanium Openeye Name: [3-[(4-butylphenyl)carbamothioylamino]-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [3-[[(4-butylanilino)-sulfanylidenemethyl]amino]-2,2-dimethylpropyl]-dimethylammonium IUPAC Name: [3-[(4-butylphenyl)carbamothioylamino]-2,2-dimethylpropyl]-dimethylazanium Traditional Name: [3-[(4-butylphenyl)thiocarbamoylamino]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C18H32N3S+ MolecularWeight: 322.53178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC(C)(C)C[NH+](C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCC(C)(C)C[NH+](C)C

InChI

InChI=1S/C18H31N3S/c1-6-7-8-15-9-11-16(12-10-15)20-17(22)19-13-18(2,3)14-21(4)5/h9-12H,6-8,13-14H2,1-5H3,(H2,19,20,22)/p+1