6-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide

Systemtic Name: 6-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide Openeye Name: 6-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide CAS Name: 6-[(1,3-dimethyl-4-pyrazolyl)methyl-methylamino]-N-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-3-pyridinecarboxamide IUPAC Name: 6-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide Traditional Name: 6-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]nicotinamide Formula: C21H33N6O+ MolecularWeight: 385.52632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN(C)C2=NC=C(C=C2)C(=O)NCCC3CCCC[NH+]3C)C

Isomeric SMILES

CC1=NN(C=C1CN(C)C2=NC=C(C=C2)C(=O)NCC[C@@H]3CCCC[NH+]3C)C

InChI

InChI=1S/C21H32N6O/c1-16-18(15-27(4)24-16)14-26(3)20-9-8-17(13-23-20)21(28)22-11-10-19-7-5-6-12-25(19)2/h8-9,13,15,19H,5-7,10-12,14H2,1-4H3,(H,22,28)/p+1/t19-/m0/s1