methyl-[3-[[(1-methylindol-3-yl)carbonylamino]carbamoylamino]propyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[3-[[(1-methylindol-3-yl)carbonylamino]carbamoylamino]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[3-[[(1-methylindole-3-carbonyl)amino]carbamoylamino]propyl]ammonium CAS Name: methyl-[3-[[[[(1-methyl-3-indolyl)-oxomethyl]hydrazo]-oxomethyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-[[(1-methylindole-3-carbonyl)amino]carbamoylamino]propyl]azanium Traditional Name: benzyl-methyl-[3-[[(1-methylindole-3-carbonyl)amino]carbamoylamino]propyl]ammonium Formula: C22H28N5O2+ MolecularWeight: 394.49002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)NNC(=O)NCCC[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)NNC(=O)NCCC[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N5O2/c1-26(15-17-9-4-3-5-10-17)14-8-13-23-22(29)25-24-21(28)19-16-27(2)20-12-7-6-11-18(19)20/h3-7,9-12,16H,8,13-15H2,1-2H3,(H,24,28)(H2,23,25,29)/p+1