methyl 3-[4-(2-azanyl-2-oxidanylidene-ethyl)morpholin-4-ium-4-yl]-2-(7-methoxynaphthalen-1-yl)propanoate

Systemtic Name: methyl 3-[4-(2-azanyl-2-oxidanylidene-ethyl)morpholin-4-ium-4-yl]-2-(7-methoxynaphthalen-1-yl)propanoate Openeye Name: methyl 3-[4-(2-amino-2-oxo-ethyl)morpholin-4-ium-4-yl]-2-(7-methoxy-1-naphthyl)propanoate CAS Name: 3-[4-(2-amino-2-oxoethyl)-4-morpholin-4-iumyl]-2-(7-methoxy-1-naphthalenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[4-(2-amino-2-oxoethyl)morpholin-4-ium-4-yl]-2-(7-methoxynaphthalen-1-yl)propanoate Traditional Name: 3-[4-(2-amino-2-keto-ethyl)morpholin-4-ium-4-yl]-2-(7-methoxy-1-naphthyl)propionic acid methyl ester Formula: C21H27N2O5+ MolecularWeight: 387.44948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CC=C2C(C[N+]3(CCOCC3)CC(=O)N)C(=O)OC)C=C1

Isomeric SMILES

COC1=CC2=C(C=CC=C2C(C[N+]3(CCOCC3)CC(=O)N)C(=O)OC)C=C1

InChI

InChI=1S/C21H26N2O5/c1-26-16-7-6-15-4-3-5-17(18(15)12-16)19(21(25)27-2)13-23(14-20(22)24)8-10-28-11-9-23/h3-7,12,19H,8-11,13-14H2,1-2H3,(H-,22,24)/p+1