3-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-9-ethyl-carbazole

Systemtic Name: 3-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-9-ethyl-carbazole Openeye Name: 3-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-9-ethyl-carbazole CAS Name: 3-[[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-9-ethylcarbazole IUPAC Name: 3-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-9-ethylcarbazole Traditional Name: 3-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-9-ethyl-carbazole Formula: C22H29N2+ MolecularWeight: 321.47906

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C[NH+]3CC(CC(C3)C)C)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C[NH+]3C[C@@H](C[C@H](C3)C)C)C4=CC=CC=C41

InChI

InChI=1S/C22H28N2/c1-4-24-21-8-6-5-7-19(21)20-12-18(9-10-22(20)24)15-23-13-16(2)11-17(3)14-23/h5-10,12,16-17H,4,11,13-15H2,1-3H3/p+1/t16-,17-/m1/s1