3-[(3R)-1-[(3-ethanoylphenyl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-[(3-ethanoylphenyl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-[(3-acetylphenyl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[(3-acetylphenyl)methyl]-3-piperidin-1-iumyl]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[(3R)-1-[(3-acetylphenyl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(3-acetylbenzyl)piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C22H35N3O2+2 MolecularWeight: 373.5322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[NH+]2CCCC(C2)CCC(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC[C@@H](C2)CCC(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H33N3O2/c1-18(26)21-7-3-5-20(15-21)17-24-10-4-6-19(16-24)8-9-22(27)25-13-11-23(2)12-14-25/h3,5,7,15,19H,4,6,8-14,16-17H2,1-2H3/p+2/t19-/m1/s1