N-[5-(4-methylpiperazin-4-ium-1-yl)pyridin-2-yl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide

Systemtic Name: N-[5-(4-methylpiperazin-4-ium-1-yl)pyridin-2-yl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide Openeye Name: N-[5-(4-methylpiperazin-4-ium-1-yl)-2-pyridyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide CAS Name: N-[5-(4-methyl-1-piperazin-4-iumyl)-2-pyridinyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name: N-[5-(4-methylpiperazin-4-ium-1-yl)pyridin-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide Traditional Name: 3-(3-keto-1,4-benzoxazin-4-yl)-N-[5-(4-methylpiperazin-4-ium-1-yl)-2-pyridyl]propionamide Formula: C21H26N5O3+ MolecularWeight: 396.46284

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CN=C(C=C2)NC(=O)CCN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CN=C(C=C2)NC(=O)CCN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C21H25N5O3/c1-24-10-12-25(13-11-24)16-6-7-19(22-14-16)23-20(27)8-9-26-17-4-2-3-5-18(17)29-15-21(26)28/h2-7,14H,8-13,15H2,1H3,(H,22,23,27)/p+1