3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]-1-piperidin-1-yl-propan-1-one

Systemtic Name: 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]-1-piperidin-1-yl-propan-1-one Openeye Name: 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]-1-(1-piperidyl)propan-1-one CAS Name: 3-[(3S,4R)-4-(4-morpholin-4-iumyl)-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumyl]-1-(1-piperidinyl)-1-propanone IUPAC Name: 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]-1-piperidin-1-ylpropan-1-one Traditional Name: 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]-1-piperidino-propan-1-one Formula: C23H38N4O2+2 MolecularWeight: 402.57342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CCC2C[NH+](CCC2[NH+]3CCOCC3)CC4=CC=NC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CC[C@H]2C[NH+](CC[C@H]2[NH+]3CCOCC3)CC4=CC=NC=C4

InChI

InChI=1S/C23H36N4O2/c28-23(27-11-2-1-3-12-27)5-4-21-19-25(18-20-6-9-24-10-7-20)13-8-22(21)26-14-16-29-17-15-26/h6-7,9-10,21-22H,1-5,8,11-19H2/p+2/t21-,22+/m0/s1