N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C23H34N5O2+3 MolecularWeight: 412.54836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H31N5O2/c29-23(19-26-9-11-28(12-10-26)22-3-1-2-8-24-22)25-17-20-4-6-21(7-5-20)18-27-13-15-30-16-14-27/h1-8H,9-19H2,(H,25,29)/p+3