6-[(4,6-dimethylpyrimidin-2-yl)methylamino]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide

Systemtic Name: 6-[(4,6-dimethylpyrimidin-2-yl)methylamino]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide Openeye Name: 6-[(4,6-dimethylpyrimidin-2-yl)methylamino]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide CAS Name: 6-[(4,6-dimethyl-2-pyrimidinyl)methylamino]-N-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-3-pyridinecarboxamide IUPAC Name: 6-[(4,6-dimethylpyrimidin-2-yl)methylamino]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide Traditional Name: 6-[(4,6-dimethylpyrimidin-2-yl)methylamino]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]nicotinamide Formula: C21H31N6O+ MolecularWeight: 383.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)CNC2=NC=C(C=C2)C(=O)NCCC3CCCC[NH+]3C)C

Isomeric SMILES

CC1=CC(=NC(=N1)CNC2=NC=C(C=C2)C(=O)NCC[C@@H]3CCCC[NH+]3C)C

InChI

InChI=1S/C21H30N6O/c1-15-12-16(2)26-20(25-15)14-24-19-8-7-17(13-23-19)21(28)22-10-9-18-6-4-5-11-27(18)3/h7-8,12-13,18H,4-6,9-11,14H2,1-3H3,(H,22,28)(H,23,24)/p+1/t18-/m0/s1