2-methyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]pyridine-3-carboxamide

Systemtic Name: 2-methyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]pyridine-3-carboxamide Openeye Name: 2-methyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]pyridine-3-carboxamide CAS Name: 2-methyl-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-3-pyridinecarboxamide IUPAC Name: 2-methyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]pyridine-3-carboxamide Traditional Name: 2-methyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]nicotinamide Formula: C18H30N4O+2 MolecularWeight: 318.457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C(=O)NC2CCC[NH+](C2)C3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C=CC=N1)C(=O)N[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)C

InChI

InChI=1S/C18H28N4O/c1-14-17(6-3-9-19-14)18(23)20-15-5-4-10-22(13-15)16-7-11-21(2)12-8-16/h3,6,9,15-16H,4-5,7-8,10-13H2,1-2H3,(H,20,23)/p+2/t15-/m0/s1