3-ethyl-4-oxidanylidene-N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]phthalazine-1-carboxamide

Systemtic Name: 3-ethyl-4-oxidanylidene-N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]phthalazine-1-carboxamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-ethyl-4-oxo-N-[[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino]-1-phthalazinecarboxamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C23H26N5O2+ MolecularWeight: 404.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O2/c1-2-28-23(30)20-11-7-6-10-19(20)21(26-28)22(29)25-24-18-12-14-27(15-13-18)16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,25,29)/p+1