3-[(3R)-1-[2-(2-methoxyphenoxy)ethanoyl]piperidin-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-[2-(2-methoxyphenoxy)ethanoyl]piperidin-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-[2-(2-methoxyphenoxy)acetyl]-3-piperidyl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[2-(2-methoxyphenoxy)-1-oxoethyl]-3-piperidinyl]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[(3R)-1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-[2-(2-methoxyphenoxy)acetyl]-3-piperidyl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C22H34N3O4+ MolecularWeight: 404.52306

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2CCCN(C2)C(=O)COC3=CC=CC=C3OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC[C@H]2CCCN(C2)C(=O)COC3=CC=CC=C3OC

InChI

InChI=1S/C22H33N3O4/c1-23-12-14-24(15-13-23)21(26)10-9-18-6-5-11-25(16-18)22(27)17-29-20-8-4-3-7-19(20)28-2/h3-4,7-8,18H,5-6,9-17H2,1-2H3/p+1/t18-/m1/s1