3-butyl-4-oxidanylidene-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]phthalazine-1-carboxamide

Systemtic Name: 3-butyl-4-oxidanylidene-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]phthalazine-1-carboxamide Openeye Name: 3-butyl-4-oxo-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]phthalazine-1-carboxamide CAS Name: 3-butyl-4-oxo-N-[(1-propyl-4-piperidin-1-iumylidene)amino]-1-phthalazinecarboxamide IUPAC Name: 3-butyl-4-oxo-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]phthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]phthalazine-1-carboxamide Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C3CC[NH+](CC3)CCC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C3CC[NH+](CC3)CCC

InChI

InChI=1S/C21H29N5O2/c1-3-5-13-26-21(28)18-9-7-6-8-17(18)19(24-26)20(27)23-22-16-10-14-25(12-4-2)15-11-16/h6-9H,3-5,10-15H2,1-2H3,(H,23,27)/p+1