N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)phthalazine-1-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-25-14-12-18(13-15-25)26(2)23(29)21-19-10-6-7-11-20(19)22(28)27(24-21)16-17-8-4-3-5-9-17/h3-11,18H,12-16H2,1-2H3/p+1