2-(6-methoxynaphthalen-2-yl)-2-[[1-(methylazaniumyl)pyrrolidin-2-yl]methyl]butanoate

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-[[1-(methylazaniumyl)pyrrolidin-2-yl]methyl]butanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-[[1-(methylammonio)pyrrolidin-2-yl]methyl]butanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-[[1-(methylammonio)-2-pyrrolidinyl]methyl]butanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-[[1-(methylazaniumyl)pyrrolidin-2-yl]methyl]butanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-[[1-(methylammonio)pyrrolidin-2-yl]methyl]butyrate Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1CCCN1[NH2+]C)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

Isomeric SMILES

CCC(CC1CCCN1[NH2+]C)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

InChI

InChI=1S/C21H28N2O3/c1-4-21(20(24)25,14-18-6-5-11-23(18)22-2)17-9-7-16-13-19(26-3)10-8-15(16)12-17/h7-10,12-13,18,22H,4-6,11,14H2,1-3H3,(H,24,25)