[1-(1H-indol-3-ylmethyl)piperidin-1-ium-4-yl]-phenethyl-(phenylmethyl)azanium

Systemtic Name: [1-(1H-indol-3-ylmethyl)piperidin-1-ium-4-yl]-phenethyl-(phenylmethyl)azanium Openeye Name: benzyl-[1-(1H-indol-3-ylmethyl)piperidin-1-ium-4-yl]-phenethyl-ammonium CAS Name: [1-(1H-indol-3-ylmethyl)-4-piperidin-1-iumyl]-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[1-(1H-indol-3-ylmethyl)piperidin-1-ium-4-yl]-phenethylazanium Traditional Name: benzyl-[1-(1H-indol-3-ylmethyl)piperidin-1-ium-4-yl]-phenethyl-ammonium Formula: C29H35N3+2 MolecularWeight: 425.6083

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54

Isomeric SMILES

C1C[NH+](CCC1[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C29H33N3/c1-3-9-24(10-4-1)15-20-32(22-25-11-5-2-6-12-25)27-16-18-31(19-17-27)23-26-21-30-29-14-8-7-13-28(26)29/h1-14,21,27,30H,15-20,22-23H2/p+2