3-[[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-7-methyl-2-(4-propylphenyl)-1H-indole

Systemtic Name: 3-[[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-7-methyl-2-(4-propylphenyl)-1H-indole Openeye Name: 3-[[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-7-methyl-2-(4-propylphenyl)-1H-indole CAS Name: 3-[[(2R,6R)-2,6-dimethyl-1-piperidin-1-iumyl]methyl]-7-methyl-2-(4-propylphenyl)-1H-indole IUPAC Name: 3-[[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-7-methyl-2-(4-propylphenyl)-1H-indole Traditional Name: 3-[[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-7-methyl-2-(4-propylphenyl)-1H-indole Formula: C26H35N2+ MolecularWeight: 375.5695

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=C(C3=C(N2)C(=CC=C3)C)C[NH+]4C(CCCC4C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=C(C3=C(N2)C(=CC=C3)C)C[NH+]4[C@@H](CCC[C@H]4C)C

InChI

InChI=1S/C26H34N2/c1-5-8-21-13-15-22(16-14-21)26-24(17-28-19(3)10-7-11-20(28)4)23-12-6-9-18(2)25(23)27-26/h6,9,12-16,19-20,27H,5,7-8,10-11,17H2,1-4H3/p+1/t19-,20-/m1/s1