N-[2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-6-chloranyl-N-methyl-pyridine-3-carboxamide

Systemtic Name: N-[2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-6-chloranyl-N-methyl-pyridine-3-carboxamide Openeye Name: N-[2-[4-[2-(tert-butylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-6-chloro-N-methyl-pyridine-3-carboxamide CAS Name: N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]-6-chloro-N-methyl-3-pyridinecarboxamide IUPAC Name: N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-6-chloro-N-methylpyridine-3-carboxamide Traditional Name: N-[2-[4-[2-(tert-butylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-6-chloro-N-methyl-nicotinamide Formula: C19H29ClN5O3+ MolecularWeight: 410.91826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CN(C)C(=O)C2=CN=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CN(C)C(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C19H28ClN5O3/c1-19(2,3)22-16(26)12-24-7-9-25(10-8-24)17(27)13-23(4)18(28)14-5-6-15(20)21-11-14/h5-6,11H,7-10,12-13H2,1-4H3,(H,22,26)/p+1