azepan-1-yl-[1-(4-morpholin-4-ylpyridin-1-ium-2-yl)carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(4-morpholin-4-ylpyridin-1-ium-2-yl)carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(4-morpholinopyridin-1-ium-2-carbonyl)-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[4-(4-morpholinyl)-2-pyridin-1-iumyl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(4-morpholin-4-ylpyridin-1-ium-2-carbonyl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(4-morpholinopyridin-1-ium-2-carbonyl)-4-piperidyl]methanone Formula: C22H33N4O3+ MolecularWeight: 401.52242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=[NH+]C=CC(=C3)N4CCOCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=[NH+]C=CC(=C3)N4CCOCC4

InChI

InChI=1S/C22H32N4O3/c27-21(25-9-3-1-2-4-10-25)18-6-11-26(12-7-18)22(28)20-17-19(5-8-23-20)24-13-15-29-16-14-24/h5,8,17-18H,1-4,6-7,9-16H2/p+1