3-methoxy-2-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]benzaldehyde

Systemtic Name: 3-methoxy-2-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]benzaldehyde Openeye Name: 3-methoxy-2-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]benzaldehyde CAS Name: 3-methoxy-2-[4-(4-methyl-1-piperazine-1,4-diiumyl)butoxy]benzaldehyde IUPAC Name: 3-methoxy-2-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]benzaldehyde Traditional Name: 3-methoxy-2-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]benzaldehyde Formula: C17H28N2O3+2 MolecularWeight: 308.41582

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCCOC2=C(C=CC=C2OC)C=O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCCOC2=C(C=CC=C2OC)C=O

InChI

InChI=1S/C17H26N2O3/c1-18-9-11-19(12-10-18)8-3-4-13-22-17-15(14-20)6-5-7-16(17)21-2/h5-7,14H,3-4,8-13H2,1-2H3/p+2