2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]butoxy]-3-methoxy-benzaldehyde

Systemtic Name: 2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]butoxy]-3-methoxy-benzaldehyde Openeye Name: 2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]butoxy]-3-methoxy-benzaldehyde CAS Name: 2-[4-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]butoxy]-3-methoxybenzaldehyde IUPAC Name: 2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]butoxy]-3-methoxybenzaldehyde Traditional Name: 2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]butoxy]-3-methoxy-benzaldehyde Formula: C19H30NO3+ MolecularWeight: 320.4464

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCCCOC2=C(C=CC=C2OC)C=O)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CCCCOC2=C(C=CC=C2OC)C=O)C

InChI

InChI=1S/C19H29NO3/c1-15-11-16(2)13-20(12-15)9-4-5-10-23-19-17(14-21)7-6-8-18(19)22-3/h6-8,14-16H,4-5,9-13H2,1-3H3/p+1/t15-,16-/m1/s1