N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C23H34N5O+3 MolecularWeight: 396.54896

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)CC4=CC=CC=C4

InChI

InChI=1S/C23H31N5O/c29-23(19-27-14-16-28(17-15-27)22-8-4-5-11-24-22)25-21-9-12-26(13-10-21)18-20-6-2-1-3-7-20/h1-8,11,21H,9-10,12-19H2,(H,25,29)/p+3