(2S,3S,6S)-2,6-bis(4-methoxyphenyl)-3-propan-2-yl-piperidin-1-ium-4-one

Systemtic Name: (2S,3S,6S)-2,6-bis(4-methoxyphenyl)-3-propan-2-yl-piperidin-1-ium-4-one Openeye Name: (2S,3S,6S)-3-isopropyl-2,6-bis(4-methoxyphenyl)piperidin-1-ium-4-one CAS Name: (2S,3S,6S)-2,6-bis(4-methoxyphenyl)-3-propan-2-yl-4-piperidin-1-iumone IUPAC Name: (2S,3S,6S)-2,6-bis(4-methoxyphenyl)-3-propan-2-ylpiperidin-1-ium-4-one Traditional Name: (2S,3S,6S)-3-isopropyl-2,6-bis(4-methoxyphenyl)piperidin-1-ium-4-one Formula: C22H28NO3+ MolecularWeight: 354.46262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C([NH2+]C(CC1=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)[C@H]1[C@H]([NH2+][C@@H](CC1=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27NO3/c1-14(2)21-20(24)13-19(15-5-9-17(25-3)10-6-15)23-22(21)16-7-11-18(26-4)12-8-16/h5-12,14,19,21-23H,13H2,1-4H3/p+1/t19-,21+,22+/m0/s1