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

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[(10-oxidanidylacridin-10-ium-9-yl)methylamino]pentanoic acid Openeye Name: 5-guanidino-2-[(10-oxidoacridin-10-ium-9-yl)methylamino]pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[(10-oxido-9-acridin-10-iumyl)methylamino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[(10-oxidoacridin-10-ium-9-yl)methylamino]pentanoic acid Traditional Name: 5-guanidino-2-[(10-oxidoacridin-10-ium-9-yl)methylamino]valeric acid Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=[N+]2[O-])CNC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=[N+]2[O-])CNC(CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C20H23N5O3/c21-20(22)23-11-5-8-16(19(26)27)24-12-15-13-6-1-3-9-17(13)25(28)18-10-4-2-7-14(15)18/h1-4,6-7,9-10,16,24H,5,8,11-12H2,(H,26,27)(H4,21,22,23)