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

Systemtic Name: 4-oxidanylidene-N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]-3H-phthalazine-1-carboxamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino]-3H-phthalazine-1-carboxamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-4-keto-3H-phthalazine-1-carboxamide Formula: C21H22N5O2+ MolecularWeight: 376.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=NNC(=O)C2=NNC(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1=NNC(=O)C2=NNC(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2/c27-20-18-9-5-4-8-17(18)19(23-24-20)21(28)25-22-16-10-12-26(13-11-16)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,24,27)(H,25,28)/p+1