1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-(3-prop-2-enoxyphenyl)carbonylpiperidin-3-yl]propan-1-one

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-(3-prop-2-enoxyphenyl)carbonylpiperidin-3-yl]propan-1-one Openeye Name: 3-[(3R)-1-(3-allyloxybenzoyl)-3-piperidyl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-3-[(3R)-1-[oxo-(3-prop-2-enoxyphenyl)methyl]-3-piperidinyl]-1-propanone IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-(3-prop-2-enoxybenzoyl)piperidin-3-yl]propan-1-one Traditional Name: 3-[(3R)-1-(3-allyloxybenzoyl)-3-piperidyl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C23H34N3O3+ MolecularWeight: 400.53436

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2CCCN(C2)C(=O)C3=CC(=CC=C3)OCC=C

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC[C@H]2CCCN(C2)C(=O)C3=CC(=CC=C3)OCC=C

InChI

InChI=1S/C23H33N3O3/c1-3-16-29-21-8-4-7-20(17-21)23(28)26-11-5-6-19(18-26)9-10-22(27)25-14-12-24(2)13-15-25/h3-4,7-8,17,19H,1,5-6,9-16,18H2,2H3/p+1/t19-/m1/s1