6-[3,6-bis(azanyl)acridin-10-ium-10-yl]hexyl 4-nitrobenzoate chloride

Systemtic Name: 6-[3,6-bis(azanyl)acridin-10-ium-10-yl]hexyl 4-nitrobenzoate chloride Openeye Name: 6-(3,6-diaminoacridin-10-ium-10-yl)hexyl 4-nitrobenzoate chloride CAS Name: 4-nitrobenzoic acid 6-(3,6-diamino-10-acridin-10-iumyl)hexyl ester chloride IUPAC Name: 6-(3,6-diaminoacridin-10-ium-10-yl)hexyl 4-nitrobenzoate chloride Traditional Name: 4-nitrobenzoic acid 6-(3,6-diaminoacridin-10-ium-10-yl)hexyl ester chloride Formula: C26H27ClN4O4 MolecularWeight: 494.96998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCCCCC[N+]2=C3C=C(C=CC3=CC4=C2C=C(C=C4)N)N)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCCCCC[N+]2=C3C=C(C=CC3=CC4=C2C=C(C=C4)N)N)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C26H26N4O4.ClH/c27-21-9-5-19-15-20-6-10-22(28)17-25(20)29(24(19)16-21)13-3-1-2-4-14-34-26(31)18-7-11-23(12-8-18)30(32)33;/h5-12,15-17H,1-4,13-14H2,(H3,27,28);1H