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

Systemtic Name: 2-chloranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butan-2-yl]benzamide Openeye Name: 2-chloro-N-[(1S)-2-methyl-1-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)propyl]benzamide CAS Name: 2-chloro-N-[(2S)-3-methyl-1-oxo-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]butan-2-yl]benzamide IUPAC Name: 2-chloro-N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butan-2-yl]benzamide Traditional Name: 2-chloro-N-[(1S)-2-methyl-1-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)propyl]benzamide Formula: C21H26ClN4O2+ MolecularWeight: 401.90974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H25ClN4O2/c1-15(2)19(24-20(27)17-5-3-4-6-18(17)22)21(28)26-13-11-25(12-14-26)16-7-9-23-10-8-16/h3-10,15,19H,11-14H2,1-2H3,(H,24,27)/p+1/t19-/m0/s1