2-chloranyl-N-[(2S)-1-oxidanylidene-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-1-oxidanylidene-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]benzamide Openeye Name: 2-chloro-N-[(1S)-1-methyl-2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide CAS Name: 2-chloro-N-[(2S)-1-oxo-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]propan-2-yl]benzamide IUPAC Name: 2-chloro-N-[(2S)-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]benzamide Traditional Name: 2-chloro-N-[(1S)-2-keto-1-methyl-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide Formula: C20H24ClN4O2+ MolecularWeight: 387.88316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=NC=C2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=NC=C2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H23ClN4O2/c1-15(23-19(26)17-4-2-3-5-18(17)21)20(27)25-12-10-24(11-13-25)14-16-6-8-22-9-7-16/h2-9,15H,10-14H2,1H3,(H,23,26)/p+1/t15-/m0/s1