(2-azanyl-5-methoxy-4-phenylmethoxy-phenyl)-[1-(hydroxymethyl)pyrrolidin-1-ium-1-yl]methanone

Systemtic Name: (2-azanyl-5-methoxy-4-phenylmethoxy-phenyl)-[1-(hydroxymethyl)pyrrolidin-1-ium-1-yl]methanone Openeye Name: (2-amino-4-benzyloxy-5-methoxy-phenyl)-[1-(hydroxymethyl)pyrrolidin-1-ium-1-yl]methanone CAS Name: (2-amino-5-methoxy-4-phenylmethoxyphenyl)-[1-(hydroxymethyl)-1-pyrrolidin-1-iumyl]methanone IUPAC Name: (2-amino-5-methoxy-4-phenylmethoxyphenyl)-[1-(hydroxymethyl)pyrrolidin-1-ium-1-yl]methanone Traditional Name: (2-amino-4-benzoxy-5-methoxy-phenyl)-(1-methylolpyrrolidin-1-ium-1-yl)methanone Formula: C20H25N2O4+ MolecularWeight: 357.4235

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)[N+]2(CCCC2)CO)N)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)[N+]2(CCCC2)CO)N)OCC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O4/c1-25-18-11-16(20(24)22(14-23)9-5-6-10-22)17(21)12-19(18)26-13-15-7-3-2-4-8-15/h2-4,7-8,11-12,23H,5-6,9-10,13-14H2,1H3,(H-,21,24)/p+1