N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-2-(4-methyl-1-oxidanylidene-phthalazin-2-yl)ethanamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-2-(4-methyl-1-oxidanylidene-phthalazin-2-yl)ethanamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-N-methyl-2-(4-methyl-1-oxo-2-phthalazinyl)acetamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-2-(1-keto-4-methyl-phthalazin-2-yl)-N-methyl-acetamide Formula: C26H31N4O2+ MolecularWeight: 431.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N(C)C3CCC[NH+](C3)C4CC5=CC=CC=C5C4

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N(C)[C@H]3CCC[NH+](C3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C26H30N4O2/c1-18-23-11-5-6-12-24(23)26(32)30(27-18)17-25(31)28(2)21-10-7-13-29(16-21)22-14-19-8-3-4-9-20(19)15-22/h3-6,8-9,11-12,21-22H,7,10,13-17H2,1-2H3/p+1/t21-/m0/s1