4-(2-azanyl-2-oxidanylidene-ethyl)-N-methyl-4-(2,4,6-trimethylpyridin-3-yl)piperazin-4-ium-2-carboxamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-N-methyl-4-(2,4,6-trimethylpyridin-3-yl)piperazin-4-ium-2-carboxamide Openeye Name: 4-(2-amino-2-oxo-ethyl)-N-methyl-4-(2,4,6-trimethyl-3-pyridyl)piperazin-4-ium-2-carboxamide CAS Name: 4-(2-amino-2-oxoethyl)-N-methyl-4-(2,4,6-trimethyl-3-pyridinyl)-2-piperazin-4-iumcarboxamide IUPAC Name: 4-(2-amino-2-oxoethyl)-N-methyl-4-(2,4,6-trimethylpyridin-3-yl)piperazin-4-ium-2-carboxamide Traditional Name: 4-(2-amino-2-keto-ethyl)-N-methyl-4-(2,4,6-trimethyl-3-pyridyl)piperazin-4-ium-2-carboxamide Formula: C16H26N5O2+ MolecularWeight: 320.40994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1[N+]2(CCNC(C2)C(=O)NC)CC(=O)N)C)C

Isomeric SMILES

CC1=CC(=NC(=C1[N+]2(CCNC(C2)C(=O)NC)CC(=O)N)C)C

InChI

InChI=1S/C16H25N5O2/c1-10-7-11(2)20-12(3)15(10)21(9-14(17)22)6-5-19-13(8-21)16(23)18-4/h7,13,19H,5-6,8-9H2,1-4H3,(H2-,17,18,22,23)/p+1