5-[bis(azanyl)methylideneamino]-2-[(10-methylacridin-10-ium-9-yl)carbonylamino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[(10-methylacridin-10-ium-9-yl)carbonylamino]pentanoic acid Openeye Name: 5-guanidino-2-[(10-methylacridin-10-ium-9-carbonyl)amino]pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[(10-methyl-9-acridin-10-iumyl)-oxomethyl]amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[(10-methylacridin-10-ium-9-carbonyl)amino]pentanoic acid Traditional Name: 5-guanidino-2-[(10-methylacridin-10-ium-9-carbonyl)amino]valeric acid Formula: C21H24N5O3+ MolecularWeight: 394.44696

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)NC(CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C21H23N5O3/c1-26-16-10-4-2-7-13(16)18(14-8-3-5-11-17(14)26)19(27)25-15(20(28)29)9-6-12-24-21(22)23/h2-5,7-8,10-11,15H,6,9,12H2,1H3,(H5-,22,23,24,25,27,28,29)/p+1