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

Systemtic Name: 4-methoxy-N-[(2S)-3-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]benzamide Openeye Name: 4-methoxy-N-[(1S)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)propyl]benzamide CAS Name: 4-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butan-2-yl]benzamide IUPAC Name: 4-methoxy-N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]benzamide Traditional Name: 4-methoxy-N-[(1S)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)propyl]benzamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N4O3/c1-16(2)20(24-21(27)17-7-9-18(29-3)10-8-17)22(28)26-14-12-25(13-15-26)19-6-4-5-11-23-19/h4-11,16,20H,12-15H2,1-3H3,(H,24,27)/p+1/t20-/m0/s1