3-cyclopentyl-1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-cyclopentyl-1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-cyclopentyl-1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-cyclopentyl-1-[4-[(2,3-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-cyclopentyl-1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-cyclopentyl-1-(4-o-veratrylpiperazin-4-ium-1-yl)propan-1-one Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)C(=O)CCC3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)C(=O)CCC3CCCC3

InChI

InChI=1S/C21H32N2O3/c1-25-19-9-5-8-18(21(19)26-2)16-22-12-14-23(15-13-22)20(24)11-10-17-6-3-4-7-17/h5,8-9,17H,3-4,6-7,10-16H2,1-2H3/p+1