4-[3-(azepan-1-ium-1-yl)propoxy]-3-methoxy-benzaldehyde

Systemtic Name: 4-[3-(azepan-1-ium-1-yl)propoxy]-3-methoxy-benzaldehyde Openeye Name: 4-[3-(azepan-1-ium-1-yl)propoxy]-3-methoxy-benzaldehyde CAS Name: 4-[3-(1-azepan-1-iumyl)propoxy]-3-methoxybenzaldehyde IUPAC Name: 4-[3-(azepan-1-ium-1-yl)propoxy]-3-methoxybenzaldehyde Traditional Name: 4-[3-(azepan-1-ium-1-yl)propoxy]-3-methoxy-benzaldehyde Formula: C17H26NO3+ MolecularWeight: 292.39324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OCCC[NH+]2CCCCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OCCC[NH+]2CCCCCC2

InChI

InChI=1S/C17H25NO3/c1-20-17-13-15(14-19)7-8-16(17)21-12-6-11-18-9-4-2-3-5-10-18/h7-8,13-14H,2-6,9-12H2,1H3/p+1