N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-(pyrimidin-2-ylamino)benzamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-(pyrimidin-2-ylamino)benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(pyrimidin-2-ylamino)benzamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-(2-pyrimidinylamino)benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(pyrimidin-2-ylamino)benzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(2-pyrimidylamino)benzamide Formula: C23H26N5O+ MolecularWeight: 388.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC(=CC=C2)NC3=NC=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC(=CC=C2)NC3=NC=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O/c29-22(19-8-4-9-21(16-19)27-23-24-12-5-13-25-23)26-20-10-14-28(15-11-20)17-18-6-2-1-3-7-18/h1-9,12-13,16,20H,10-11,14-15,17H2,(H,26,29)(H,24,25,27)/p+1