[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]-morpholin-4-yl-methanone

Systemtic Name: [2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]-morpholin-4-yl-methanone Openeye Name: [2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]-morpholino-methanone CAS Name: [2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3-pyridin-1-iumyl]-(4-morpholinyl)methanone IUPAC Name: [2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]-morpholin-4-ylmethanone Traditional Name: [2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]-morpholino-methanone Formula: C16H26N4O3+2 MolecularWeight: 322.40264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=C(C=CC=[NH+]2)C(=O)N3CCOCC3

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=C(C=CC=[NH+]2)C(=O)N3CCOCC3

InChI

InChI=1S/C16H24N4O3/c21-11-8-18-4-6-19(7-5-18)15-14(2-1-3-17-15)16(22)20-9-12-23-13-10-20/h1-3,21H,4-13H2/p+2