methyl 4-[(4-propylpiperazin-4-ium-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(4-propylpiperazin-4-ium-1-yl)methyl]benzoate Openeye Name: methyl 4-[(4-propylpiperazin-4-ium-1-yl)methyl]benzoate CAS Name: 4-[(4-propyl-1-piperazin-4-iumyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-propylpiperazin-4-ium-1-yl)methyl]benzoate Traditional Name: 4-[(4-propylpiperazin-4-ium-1-yl)methyl]benzoic acid methyl ester Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCC[NH+]1CCN(CC1)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H24N2O2/c1-3-8-17-9-11-18(12-10-17)13-14-4-6-15(7-5-14)16(19)20-2/h4-7H,3,8-13H2,1-2H3/p+1