[6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]-morpholin-4-yl-methanone

Systemtic Name: [6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]-morpholin-4-yl-methanone Openeye Name: [6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]-morpholino-methanone CAS Name: [6-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3-pyridin-1-iumyl]-(4-morpholinyl)methanone IUPAC Name: [6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]-morpholin-4-ylmethanone Traditional Name: [6-[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=[NH+]C=C(C=C2)C(=O)N3CCOCC3

Isomeric SMILES

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

InChI

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