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

Systemtic Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-(4-morpholin-4-iumylmethyl)phenyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C22H32N5O2+3 MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H29N5O2/c28-22(18-25-9-11-27(12-10-25)21-3-1-2-8-23-21)24-20-6-4-19(5-7-20)17-26-13-15-29-16-14-26/h1-8H,9-18H2,(H,24,28)/p+3