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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]cycloheptanecarboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]cycloheptanecarboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]cycloheptanecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]cycloheptanecarboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]cycloheptanecarboxamide Formula: C25H41N3O3+2 MolecularWeight: 431.61134

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCN(CC2=CC3=C(C=C2)OCCO3)C(=O)C4CCCCCC4

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCN(CC2=CC3=C(C=C2)OCCO3)C(=O)C4CCCCCC4

InChI

InChI=1S/C25H39N3O3/c1-26-13-15-27(16-14-26)11-6-12-28(25(29)22-7-4-2-3-5-8-22)20-21-9-10-23-24(19-21)31-18-17-30-23/h9-10,19,22H,2-8,11-18,20H2,1H3/p+2