3-methyl-N-[(2S)-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-2-yl]benzamide

Systemtic Name: 3-methyl-N-[(2S)-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-2-yl]benzamide Openeye Name: 3-methyl-N-[(1S)-1-methyl-2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]benzamide CAS Name: 3-methyl-N-[(2S)-1-oxo-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]propan-2-yl]benzamide IUPAC Name: 3-methyl-N-[(2S)-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-2-yl]benzamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]-3-methyl-benzamide Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C20H24N4O2/c1-15-4-3-5-17(14-15)19(25)22-16(2)20(26)24-12-10-23(11-13-24)18-6-8-21-9-7-18/h3-9,14,16H,10-13H2,1-2H3,(H,22,25)/p+1/t16-/m0/s1