3-(7-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]propanamide

Systemtic Name: 3-(7-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]propanamide Openeye Name: 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]propanamide CAS Name: 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]propanamide IUPAC Name: 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]propanamide Traditional Name: 3-(3-keto-7-methyl-1,4-benzoxazin-4-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]propionamide Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)CCN2C(=O)COC3=C2C=CC(=C3)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)CCN2C(=O)COC3=C2C=CC(=C3)C

InChI

InChI=1S/C21H31N3O3/c1-16-7-8-18-19(14-16)27-15-21(26)24(18)13-9-20(25)22-10-5-12-23-11-4-3-6-17(23)2/h7-8,14,17H,3-6,9-13,15H2,1-2H3,(H,22,25)/p+1/t17-/m0/s1