4-(piperidin-1-ium-1-ylmethyl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide

Systemtic Name: 4-(piperidin-1-ium-1-ylmethyl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide Openeye Name: 4-(piperidin-1-ium-1-ylmethyl)-N-[3-[(E)-2-(2-pyridyl)vinyl]phenyl]benzamide CAS Name: 4-(1-piperidin-1-iumylmethyl)-N-[3-[(E)-2-(2-pyridinyl)ethenyl]phenyl]benzamide IUPAC Name: 4-(piperidin-1-ium-1-ylmethyl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide Traditional Name: 4-(piperidin-1-ium-1-ylmethyl)-N-[3-[(E)-2-(2-pyridyl)vinyl]phenyl]benzamide Formula: C26H28N3O+ MolecularWeight: 398.52002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C=CC4=CC=CC=N4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)/C=C/C4=CC=CC=N4

InChI

InChI=1S/C26H27N3O/c30-26(23-13-10-22(11-14-23)20-29-17-4-1-5-18-29)28-25-9-6-7-21(19-25)12-15-24-8-2-3-16-27-24/h2-3,6-16,19H,1,4-5,17-18,20H2,(H,28,30)/p+1/b15-12+