N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-3-(3-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-3-(3-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-3-(3-methoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(1-ethyl-2-pyrrolidin-1-iumyl)methyl]-3-(3-methoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-3-(3-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-keto-3-(3-methoxyphenyl)phthalazine-1-carboxamide Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)OC

Isomeric SMILES

CC[NH+]1CCCC1CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H26N4O3/c1-3-26-13-7-9-17(26)15-24-22(28)21-19-11-4-5-12-20(19)23(29)27(25-21)16-8-6-10-18(14-16)30-2/h4-6,8,10-12,14,17H,3,7,9,13,15H2,1-2H3,(H,24,28)/p+1