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

Systemtic Name: 2-methyl-N-[(2S)-3-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butan-2-yl]benzamide Openeye Name: 2-methyl-N-[(1S)-2-methyl-1-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)propyl]benzamide CAS Name: 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]butan-2-yl]benzamide IUPAC Name: 2-methyl-N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butan-2-yl]benzamide Traditional Name: 2-methyl-N-[(1S)-2-methyl-1-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)propyl]benzamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C22H28N4O2/c1-16(2)20(24-21(27)19-7-5-4-6-17(19)3)22(28)26-14-12-25(13-15-26)18-8-10-23-11-9-18/h4-11,16,20H,12-15H2,1-3H3,(H,24,27)/p+1/t20-/m0/s1