N-[[(3R)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide

Systemtic Name: N-[[(3R)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide Openeye Name: N-[[(3R)-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide CAS Name: N-[[(3R)-1-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-1-iumyl]methyl]-4-phenylbenzamide IUPAC Name: N-[[(3R)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenylbenzamide Traditional Name: N-[[(3R)-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide Formula: C26H30N3O+ MolecularWeight: 400.5359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCCC(C2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O/c1-20-7-5-11-25(28-20)19-29-16-6-8-21(18-29)17-27-26(30)24-14-12-23(13-15-24)22-9-3-2-4-10-22/h2-5,7,9-15,21H,6,8,16-19H2,1H3,(H,27,30)/p+1/t21-/m1/s1