methyl 2-[(2R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(2R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2R)-1-[2-[(6-methoxy-2-naphthyl)methyl-methyl-amino]-2-oxo-ethyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-1-[2-[(6-methoxy-2-naphthalenyl)methyl-methylamino]-2-oxoethyl]-3-oxo-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-1-[2-keto-2-[(6-methoxy-2-naphthyl)methyl-methyl-amino]ethyl]piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C22H28N3O5+ MolecularWeight: 414.47482

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)C[NH+]3CCNC(=O)C3CC(=O)OC

Isomeric SMILES

CN(CC1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)C[NH+]3CCNC(=O)[C@H]3CC(=O)OC

InChI

InChI=1S/C22H27N3O5/c1-24(13-15-4-5-17-11-18(29-2)7-6-16(17)10-15)20(26)14-25-9-8-23-22(28)19(25)12-21(27)30-3/h4-7,10-11,19H,8-9,12-14H2,1-3H3,(H,23,28)/p+1/t19-/m1/s1