3-[(2S)-1-methyl-1-(phenylmethyl)piperidin-1-ium-2-yl]-1H-indole

Systemtic Name: 3-[(2S)-1-methyl-1-(phenylmethyl)piperidin-1-ium-2-yl]-1H-indole Openeye Name: 3-[(2S)-1-benzyl-1-methyl-piperidin-1-ium-2-yl]-1H-indole CAS Name: 3-[(2S)-1-methyl-1-(phenylmethyl)-2-piperidin-1-iumyl]-1H-indole IUPAC Name: 3-[(2S)-1-benzyl-1-methylpiperidin-1-ium-2-yl]-1H-indole Traditional Name: 3-[(2S)-1-benzyl-1-methyl-piperidin-1-ium-2-yl]-1H-indole Formula: C21H25N2+ MolecularWeight: 305.4366

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1C2=CNC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCCC[C@H]1C2=CNC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N2/c1-23(16-17-9-3-2-4-10-17)14-8-7-13-21(23)19-15-22-20-12-6-5-11-18(19)20/h2-6,9-12,15,21-22H,7-8,13-14,16H2,1H3/q+1/t21-,23?/m0/s1