3-[(1H-indol-3-ylcarbonylamino)carbamoylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[(1H-indol-3-ylcarbonylamino)carbamoylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(1H-indole-3-carbonylamino)carbamoylamino]propyl]-methyl-ammonium CAS Name: 3-[[[[1H-indol-3-yl(oxo)methyl]hydrazo]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(1H-indole-3-carbonylamino)carbamoylamino]propyl]-methylazanium Traditional Name: benzyl-[3-[(1H-indole-3-carbonylamino)carbamoylamino]propyl]-methyl-ammonium Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)NNC(=O)C1=CNC2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)NNC(=O)C1=CNC2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N5O2/c1-26(15-16-8-3-2-4-9-16)13-7-12-22-21(28)25-24-20(27)18-14-23-19-11-6-5-10-17(18)19/h2-6,8-11,14,23H,7,12-13,15H2,1H3,(H,24,27)(H2,22,25,28)/p+1