2-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethoxy]-3-methoxy-benzaldehyde

Systemtic Name: 2-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethoxy]-3-methoxy-benzaldehyde Openeye Name: 2-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethoxy]-3-methoxy-benzaldehyde CAS Name: 2-[2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]ethoxy]-3-methoxybenzaldehyde IUPAC Name: 2-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethoxy]-3-methoxybenzaldehyde Traditional Name: 2-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethoxy]-3-methoxy-benzaldehyde Formula: C17H26NO3+ MolecularWeight: 292.39324

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCOC2=C(C=CC=C2OC)C=O)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CCOC2=C(C=CC=C2OC)C=O)C

InChI

InChI=1S/C17H25NO3/c1-13-9-14(2)11-18(10-13)7-8-21-17-15(12-19)5-4-6-16(17)20-3/h4-6,12-14H,7-11H2,1-3H3/p+1/t13-,14-/m0/s1