N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]cyclohexanecarboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]cyclohexanecarboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]cyclohexanecarboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]cyclohexanecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]cyclohexanecarboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]cyclohexanecarboxamide Formula: C24H39N3O3+2 MolecularWeight: 417.58476

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCN(CC2=CC3=C(C=C2)OCCO3)C(=O)C4CCCCC4

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCN(CC2=CC3=C(C=C2)OCCO3)C(=O)C4CCCCC4

InChI

InChI=1S/C24H37N3O3/c1-25-12-14-26(15-13-25)10-5-11-27(24(28)21-6-3-2-4-7-21)19-20-8-9-22-23(18-20)30-17-16-29-22/h8-9,18,21H,2-7,10-17,19H2,1H3/p+2