[2-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [2-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [2-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [2-[[1-[(3-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]oxy]-4-methoxyphenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [2-[1-(3-ethoxybenzyl)piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidino-methanone Formula: C26H35N2O4+ MolecularWeight: 439.5671

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C[NH+]2CCC(CC2)OC3=C(C=CC(=C3)OC)C(=O)N4CCCC4

Isomeric SMILES

CCOC1=CC=CC(=C1)C[NH+]2CCC(CC2)OC3=C(C=CC(=C3)OC)C(=O)N4CCCC4

InChI

InChI=1S/C26H34N2O4/c1-3-31-23-8-6-7-20(17-23)19-27-15-11-21(12-16-27)32-25-18-22(30-2)9-10-24(25)26(29)28-13-4-5-14-28/h6-10,17-18,21H,3-5,11-16,19H2,1-2H3/p+1