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

Systemtic Name: 1-(4-methylpiperidin-1-yl)-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(phenylmethyl)piperidin-1-ium-3-yl]propan-1-one Openeye Name: 3-[(3S,4R)-1-benzyl-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]-1-(4-methyl-1-piperidyl)propan-1-one CAS Name: 1-(4-methyl-1-piperidinyl)-3-[(3S,4R)-4-(4-morpholin-4-iumyl)-1-(phenylmethyl)-3-piperidin-1-iumyl]-1-propanone IUPAC Name: 3-[(3S,4R)-1-benzyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-yl]-1-(4-methylpiperidin-1-yl)propan-1-one Traditional Name: 3-[(3S,4R)-1-benzyl-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]-1-(4-methylpiperidino)propan-1-one Formula: C25H41N3O2+2 MolecularWeight: 415.61194

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CCC2C[NH+](CCC2[NH+]3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)CC[C@H]2C[NH+](CC[C@H]2[NH+]3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H39N3O2/c1-21-9-13-28(14-10-21)25(29)8-7-23-20-26(19-22-5-3-2-4-6-22)12-11-24(23)27-15-17-30-18-16-27/h2-6,21,23-24H,7-20H2,1H3/p+2/t23-,24+/m0/s1