1-(3-methylbutyl)-N5-(2-methylpropyl)-N3-[(2S)-2-morpholin-4-ium-4-yl-2-pyridin-2-yl-ethyl]-4-oxidanylidene-pyridine-3,5-dicarboxamide

Systemtic Name: 1-(3-methylbutyl)-N5-(2-methylpropyl)-N3-[(2S)-2-morpholin-4-ium-4-yl-2-pyridin-2-yl-ethyl]-4-oxidanylidene-pyridine-3,5-dicarboxamide Openeye Name: N5-isobutyl-1-isopentyl-N3-[(2S)-2-morpholin-4-ium-4-yl-2-(2-pyridyl)ethyl]-4-oxo-pyridine-3,5-dicarboxamide CAS Name: 1-(3-methylbutyl)-N5-(2-methylpropyl)-N3-[(2S)-2-(4-morpholin-4-iumyl)-2-(2-pyridinyl)ethyl]-4-oxopyridine-3,5-dicarboxamide IUPAC Name: 1-(3-methylbutyl)-5-N-(2-methylpropyl)-3-N-[(2S)-2-morpholin-4-ium-4-yl-2-pyridin-2-ylethyl]-4-oxopyridine-3,5-dicarboxamide Traditional Name: 1-isoamyl-N'-isobutyl-4-keto-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-pyridyl)ethyl]dinicotinamide Formula: C27H40N5O4+ MolecularWeight: 498.6376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C(=O)C(=C1)C(=O)NCC(C2=CC=CC=N2)[NH+]3CCOCC3)C(=O)NCC(C)C

Isomeric SMILES

CC(C)CCN1C=C(C(=O)C(=C1)C(=O)NCC(C)C)C(=O)NC[C@@H](C2=CC=CC=N2)[NH+]3CCOCC3

InChI

InChI=1S/C27H39N5O4/c1-19(2)8-10-31-17-21(26(34)29-15-20(3)4)25(33)22(18-31)27(35)30-16-24(23-7-5-6-9-28-23)32-11-13-36-14-12-32/h5-7,9,17-20,24H,8,10-16H2,1-4H3,(H,29,34)(H,30,35)/p+1/t24-/m0/s1