4-(1-methylpiperidin-1-ium-4-yl)-7-(morpholin-4-ium-4-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 4-(1-methylpiperidin-1-ium-4-yl)-7-(morpholin-4-ium-4-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-(1-methylpiperidin-1-ium-4-yl)-7-(morpholin-4-ium-4-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-(1-methyl-4-piperidin-1-iumyl)-7-(4-morpholin-4-iumylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-(1-methylpiperidin-1-ium-4-yl)-7-(morpholin-4-ium-4-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-(1-methylpiperidin-1-ium-4-yl)-7-(morpholin-4-ium-4-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C20H34N3O2+3 MolecularWeight: 348.50286

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCOCC4

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C20H31N3O2/c1-21-6-4-19(5-7-21)23-10-13-25-20-3-2-17(14-18(20)16-23)15-22-8-11-24-12-9-22/h2-3,14,19H,4-13,15-16H2,1H3/p+3