6-(acridin-9-ylamino)hexyl 4-nitrobenzoate hydrate hydrochloride

Systemtic Name: 6-(acridin-9-ylamino)hexyl 4-nitrobenzoate hydrate hydrochloride Openeye Name: 6-(acridin-9-ylamino)hexyl 4-nitrobenzoate hydrate hydrochloride CAS Name: 4-nitrobenzoic acid 6-(9-acridinylamino)hexyl ester hydrate hydrochloride IUPAC Name: 6-(acridin-9-ylamino)hexyl 4-nitrobenzoate hydrate hydrochloride Traditional Name: 4-nitrobenzoic acid 6-(acridin-9-ylamino)hexyl ester hydrate hydrochloride Formula: C26H28ClN3O5 MolecularWeight: 497.97062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-].O.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-].O.Cl

InChI

InChI=1S/C26H25N3O4.ClH.H2O/c30-26(19-13-15-20(16-14-19)29(31)32)33-18-8-2-1-7-17-27-25-21-9-3-5-11-23(21)28-24-12-6-4-10-22(24)25;;/h3-6,9-16H,1-2,7-8,17-18H2,(H,27,28);1H;1H2