3-ethoxy-4-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]benzaldehyde

Systemtic Name: 3-ethoxy-4-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]benzaldehyde Openeye Name: 3-ethoxy-4-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]benzaldehyde CAS Name: 3-ethoxy-4-[4-(4-methyl-1-piperazin-1-iumyl)butoxy]benzaldehyde IUPAC Name: 3-ethoxy-4-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]benzaldehyde Traditional Name: 3-ethoxy-4-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]benzaldehyde Formula: C18H29N2O3+ MolecularWeight: 321.43446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=O)OCCCC[NH+]2CCN(CC2)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=O)OCCCC[NH+]2CCN(CC2)C

InChI

InChI=1S/C18H28N2O3/c1-3-22-18-14-16(15-21)6-7-17(18)23-13-5-4-8-20-11-9-19(2)10-12-20/h6-7,14-15H,3-5,8-13H2,1-2H3/p+1