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

Systemtic Name: 2-[3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propoxy]-3-methoxy-benzaldehyde Openeye Name: 2-[3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propoxy]-3-methoxy-benzaldehyde CAS Name: 2-[3-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]propoxy]-3-methoxybenzaldehyde IUPAC Name: 2-[3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propoxy]-3-methoxybenzaldehyde Traditional Name: 2-[3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propoxy]-3-methoxy-benzaldehyde Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCCOC2=C(C=CC=C2OC)C=O)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CCCOC2=C(C=CC=C2OC)C=O)C

InChI

InChI=1S/C18H27NO3/c1-14-10-15(2)12-19(11-14)8-5-9-22-18-16(13-20)6-4-7-17(18)21-3/h4,6-7,13-15H,5,8-12H2,1-3H3/p+1/t14-,15-/m1/s1