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

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-phthalazine-1-carboxamide Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC[C@H](C3=CC=C(C=C3)OC)[NH+]4CCCCC4

InChI

InChI=1S/C24H28N4O3/c1-27-24(30)20-9-5-4-8-19(20)22(26-27)23(29)25-16-21(28-14-6-3-7-15-28)17-10-12-18(31-2)13-11-17/h4-5,8-13,21H,3,6-7,14-16H2,1-2H3,(H,25,29)/p+1/t21-/m1/s1