N-[4-(2-nitroimidazol-1-yl)butyl]acridin-9-amine hydrochloride

Systemtic Name: N-[4-(2-nitroimidazol-1-yl)butyl]acridin-9-amine hydrochloride Openeye Name: N-[4-(2-nitroimidazol-1-yl)butyl]acridin-9-amine hydrochloride CAS Name: N-[4-(2-nitro-1-imidazolyl)butyl]-9-acridinamine hydrochloride IUPAC Name: N-[4-(2-nitroimidazol-1-yl)butyl]acridin-9-amine hydrochloride Traditional Name: acridin-9-yl-[4-(2-nitroimidazol-1-yl)butyl]amine hydrochloride Formula: C20H20ClN5O2 MolecularWeight: 397.8581

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCN4C=CN=C4[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCN4C=CN=C4[N+](=O)[O-].Cl

InChI

InChI=1S/C20H19N5O2.ClH/c26-25(27)20-22-12-14-24(20)13-6-5-11-21-19-15-7-1-3-9-17(15)23-18-10-4-2-8-16(18)19;/h1-4,7-10,12,14H,5-6,11,13H2,(H,21,23);1H