ethyl-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: ethyl-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: ethyl-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [2-(4-benzylpiperidino)-2-keto-ethyl]-ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c1-2-28(17-23-26-22-11-7-6-10-21(22)25(31)27-23)18-24(30)29-14-12-20(13-15-29)16-19-8-4-3-5-9-19/h3-11,20H,2,12-18H2,1H3,(H,26,27,31)/p+1