(4-ethoxy-3-methoxy-phenyl)methyl-methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[2-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]ammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]azanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-[2-keto-2-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]ethyl]-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)N2CC[NH+](CC2)CC3=CC=CC=C3C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C)OC

InChI

InChI=1S/C25H35N3O3/c1-5-31-23-11-10-21(16-24(23)30-4)17-26(3)19-25(29)28-14-12-27(13-15-28)18-22-9-7-6-8-20(22)2/h6-11,16H,5,12-15,17-19H2,1-4H3/p+2