3-(4-methylpiperazin-4-ium-1-yl)propyl 2-cyclohepta-2,4,6-trien-1-ylethanoate chloride

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl 2-cyclohepta-2,4,6-trien-1-ylethanoate chloride Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride CAS Name: 2-(1-cyclohepta-2,4,6-trienyl)acetic acid 3-(4-methyl-1-piperazin-4-iumyl)propyl ester chloride IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride Traditional Name: 2-cyclohepta-2,4,6-trien-1-ylacetic acid 3-(4-methylpiperazin-4-ium-1-yl)propyl ester chloride Formula: C17H27ClN2O2 MolecularWeight: 326.86148

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCCOC(=O)CC2C=CC=CC=C2.[Cl-]

Isomeric SMILES

C[NH+]1CCN(CC1)CCCOC(=O)CC2C=CC=CC=C2.[Cl-]

InChI

InChI=1S/C17H26N2O2.ClH/c1-18-10-12-19(13-11-18)9-6-14-21-17(20)15-16-7-4-2-3-5-8-16;/h2-5,7-8,16H,6,9-15H2,1H3;1H