N-[6-[3,6-bis(azanyl)acridin-10-ium-10-yl]hexyl]-2-nitro-benzamide chloride

Systemtic Name: N-[6-[3,6-bis(azanyl)acridin-10-ium-10-yl]hexyl]-2-nitro-benzamide chloride Openeye Name: N-[6-(3,6-diaminoacridin-10-ium-10-yl)hexyl]-2-nitro-benzamide chloride CAS Name: N-[6-(3,6-diamino-10-acridin-10-iumyl)hexyl]-2-nitrobenzamide chloride IUPAC Name: N-[6-(3,6-diaminoacridin-10-ium-10-yl)hexyl]-2-nitrobenzamide chloride Traditional Name: N-[6-(3,6-diaminoacridin-10-ium-10-yl)hexyl]-2-nitro-benzamide chloride Formula: C26H28ClN5O3 MolecularWeight: 493.98522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCCCC[N+]2=C3C=C(C=CC3=CC4=C2C=C(C=C4)N)N)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCCCC[N+]2=C3C=C(C=CC3=CC4=C2C=C(C=C4)N)N)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C26H27N5O3.ClH/c27-20-11-9-18-15-19-10-12-21(28)17-25(19)30(24(18)16-20)14-6-2-1-5-13-29-26(32)22-7-3-4-8-23(22)31(33)34;/h3-4,7-12,15-17H,1-2,5-6,13-14H2,(H4,27,28,29,32);1H