azepan-1-yl-[1-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)piperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)piperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(5-morpholinosulfonylpyridin-1-ium-2-yl)-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[5-(4-morpholinylsulfonyl)-2-pyridin-1-iumyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(5-morpholinosulfonylpyridin-1-ium-2-yl)-4-piperidyl]methanone Formula: C21H33N4O4S+ MolecularWeight: 437.57612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O4S/c26-21(24-9-3-1-2-4-10-24)18-7-11-23(12-8-18)20-6-5-19(17-22-20)30(27,28)25-13-15-29-16-14-25/h5-6,17-18H,1-4,7-16H2/p+1