3-cyclopentyl-1-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-cyclopentyl-1-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-cyclopentyl-1-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-cyclopentyl-1-[4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-cyclopentyl-1-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-cyclopentyl-1-[4-(3-ethoxy-4-methoxy-benzyl)piperazin-4-ium-1-yl]propan-1-one Formula: C22H35N2O3+ MolecularWeight: 375.5249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C(=O)CCC3CCCC3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C(=O)CCC3CCCC3)OC

InChI

InChI=1S/C22H34N2O3/c1-3-27-21-16-19(8-10-20(21)26-2)17-23-12-14-24(15-13-23)22(25)11-9-18-6-4-5-7-18/h8,10,16,18H,3-7,9,11-15,17H2,1-2H3/p+1