2-chloranyl-N-[(2S)-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: 2-chloro-N-[(1S)-1-methyl-2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]benzamide CAS Name: 2-chloro-N-[(2S)-1-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-oxopropan-2-yl]benzamide IUPAC Name: 2-chloro-N-[(2S)-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-oxopropan-2-yl]benzamide Traditional Name: 2-chloro-N-[(1S)-2-keto-1-methyl-2-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]ethyl]benzamide Formula: C22H27ClN3O2+ MolecularWeight: 400.92168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C(C)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)[C@H](C)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H26ClN3O2/c1-16-6-5-7-18(14-16)15-25-10-12-26(13-11-25)22(28)17(2)24-21(27)19-8-3-4-9-20(19)23/h3-9,14,17H,10-13,15H2,1-2H3,(H,24,27)/p+1/t17-/m0/s1