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

Systemtic Name: 6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexyl 4-nitrobenzoate chloride Openeye Name: 6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexyl 4-nitrobenzoate chloride CAS Name: 4-nitrobenzoic acid 6-[3,6-bis(dimethylamino)-10-acridin-10-iumyl]hexyl ester chloride IUPAC Name: 6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexyl 4-nitrobenzoate chloride Traditional Name: 4-nitrobenzoic acid 6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexyl ester chloride Formula: C30H35ClN4O4 MolecularWeight: 551.0763

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C=C3C=CC(=CC3=[N+]2CCCCCCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-])N(C)C.[Cl-]

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C=C3C=CC(=CC3=[N+]2CCCCCCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-])N(C)C.[Cl-]

InChI

InChI=1S/C30H35N4O4.ClH/c1-31(2)26-15-11-23-19-24-12-16-27(32(3)4)21-29(24)33(28(23)20-26)17-7-5-6-8-18-38-30(35)22-9-13-25(14-10-22)34(36)37;/h9-16,19-21H,5-8,17-18H2,1-4H3;1H/q+1;/p-1