(4-ethoxy-3-methoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]azanium

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]azanium Openeye Name: [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]ethyl]ammonium IUPAC Name: [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl]-(4-ethoxy-3-methoxy-benzyl)-methyl-ammonium Formula: C25H37N3O3+2 MolecularWeight: 427.57958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](C)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C25H35N3O3/c1-4-31-23-11-10-21(16-24(23)30-3)17-27(2)19-25(29)26-22-12-14-28(15-13-22)18-20-8-6-5-7-9-20/h5-11,16,22H,4,12-15,17-19H2,1-3H3,(H,26,29)/p+2