2-[4-(1-oxidanidylpyridin-1-ium-3-yl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(1-oxidanidylpyridin-1-ium-3-yl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(1-oxidopyridin-1-ium-3-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(1-oxidopyridin-1-ium-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(1-oxidopyridin-1-ium-3-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C19H23N4O3+ MolecularWeight: 355.41092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C19H22N4O3/c24-18(20-13-16-5-2-1-3-6-16)15-21-9-11-22(12-10-21)19(25)17-7-4-8-23(26)14-17/h1-8,14H,9-13,15H2,(H,20,24)/p+1