N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-[(3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzamide

Systemtic Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-[(3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzamide Openeye Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-[(3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide CAS Name: N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-3-[(3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide IUPAC Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-[(3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide Traditional Name: 3-[(3-keto-1,4-benzoxazin-4-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC(=CC=C2)CN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC(=CC=C2)CN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C25H31N3O3/c1-19-8-4-5-14-27(19)15-7-13-26-25(30)21-10-6-9-20(16-21)17-28-22-11-2-3-12-23(22)31-18-24(28)29/h2-3,6,9-12,16,19H,4-5,7-8,13-15,17-18H2,1H3,(H,26,30)/p+1/t19-/m0/s1