[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone

Systemtic Name: [4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone Openeye Name: [4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone CAS Name: [4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(2-methoxyphenyl)methanone IUPAC Name: [4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone Traditional Name: [4-(3-ethoxy-4-methoxy-benzyl)piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3OC)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3OC)OC

InChI

InChI=1S/C22H28N2O4/c1-4-28-21-15-17(9-10-20(21)27-3)16-23-11-13-24(14-12-23)22(25)18-7-5-6-8-19(18)26-2/h5-10,15H,4,11-14,16H2,1-3H3/p+1