4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-N-(2-pyridylmethyl)benzamide CAS Name: 4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-N-(2-pyridylmethyl)benzamide Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C20H25N3O/c1-16-5-4-12-23(14-16)15-17-7-9-18(10-8-17)20(24)22-13-19-6-2-3-11-21-19/h2-3,6-11,16H,4-5,12-15H2,1H3,(H,22,24)/p+1/t16-/m0/s1