3-(cyclohexylcarbamothioylamino)propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-(cyclohexylcarbamothioylamino)propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-(cyclohexylcarbamothioylamino)propyl]-methyl-ammonium CAS Name: 3-[[(cyclohexylamino)-sulfanylidenemethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-(cyclohexylcarbamothioylamino)propyl]-methylazanium Traditional Name: benzyl-[3-(cyclohexylthiocarbamoylamino)propyl]-methyl-ammonium Formula: C18H30N3S+ MolecularWeight: 320.5159

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=S)NC1CCCCC1)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCCNC(=S)NC1CCCCC1)CC2=CC=CC=C2

InChI

InChI=1S/C18H29N3S/c1-21(15-16-9-4-2-5-10-16)14-8-13-19-18(22)20-17-11-6-3-7-12-17/h2,4-5,9-10,17H,3,6-8,11-15H2,1H3,(H2,19,20,22)/p+1