methyl-[(3S)-1-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylpiperidin-3-yl]-(phenylmethyl)azanium

Systemtic Name: methyl-[(3S)-1-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylpiperidin-3-yl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[(3S)-1-(3-methyl-4-oxo-phthalazine-1-carbonyl)-3-piperidyl]ammonium CAS Name: methyl-[(3S)-1-[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]-3-piperidinyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(3S)-1-(3-methyl-4-oxophthalazine-1-carbonyl)piperidin-3-yl]azanium Traditional Name: benzyl-[(3S)-1-(4-keto-3-methyl-phthalazine-1-carbonyl)-3-piperidyl]-methyl-ammonium Formula: C23H27N4O2+ MolecularWeight: 391.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCC(C3)[NH+](C)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC[C@@H](C3)[NH+](C)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-25(15-17-9-4-3-5-10-17)18-11-8-14-27(16-18)23(29)21-19-12-6-7-13-20(19)22(28)26(2)24-21/h3-7,9-10,12-13,18H,8,11,14-16H2,1-2H3/p+1/t18-/m0/s1