(2,4-dimethoxyphenyl)-[(3S)-1-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (2,4-dimethoxyphenyl)-[(3S)-1-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (2,4-dimethoxyphenyl)-[(3S)-1-(o-tolylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (2,4-dimethoxyphenyl)-[(3S)-1-[(2-methylphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (2,4-dimethoxyphenyl)-[(3S)-1-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (2,4-dimethoxyphenyl)-[(3S)-1-(2-methylbenzyl)piperidin-1-ium-3-yl]methanone Formula: C22H28NO3+ MolecularWeight: 354.46262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCCC(C2)C(=O)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC[C@@H](C2)C(=O)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C22H27NO3/c1-16-7-4-5-8-17(16)14-23-12-6-9-18(15-23)22(24)20-11-10-19(25-2)13-21(20)26-3/h4-5,7-8,10-11,13,18H,6,9,12,14-15H2,1-3H3/p+1/t18-/m0/s1