3-ethoxy-4-(4-piperidin-1-ium-1-ylbutoxy)benzaldehyde

Systemtic Name: 3-ethoxy-4-(4-piperidin-1-ium-1-ylbutoxy)benzaldehyde Openeye Name: 3-ethoxy-4-(4-piperidin-1-ium-1-ylbutoxy)benzaldehyde CAS Name: 3-ethoxy-4-[4-(1-piperidin-1-iumyl)butoxy]benzaldehyde IUPAC Name: 3-ethoxy-4-(4-piperidin-1-ium-1-ylbutoxy)benzaldehyde Traditional Name: 3-ethoxy-4-(4-piperidin-1-ium-1-ylbutoxy)benzaldehyde Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=O)OCCCC[NH+]2CCCCC2

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=O)OCCCC[NH+]2CCCCC2

InChI

InChI=1S/C18H27NO3/c1-2-21-18-14-16(15-20)8-9-17(18)22-13-7-6-12-19-10-4-3-5-11-19/h8-9,14-15H,2-7,10-13H2,1H3/p+1