(3-methyl-1H-indol-2-yl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: (3-methyl-1H-indol-2-yl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: (3-methyl-1H-indol-2-yl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: (3-methyl-1H-indol-2-yl)methyl-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: (3-methyl-1H-indol-2-yl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (3-methyl-1H-indol-2-yl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C28H42N5+3 MolecularWeight: 448.66658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=CC=CC=C12)C[NH+](CC3CC[NH+](CC3)C4CC[NH+](CC4)C)CC5=CC=NC=C5

Isomeric SMILES

CC1=C(NC2=CC=CC=C12)C[NH+](CC3CC[NH+](CC3)C4CC[NH+](CC4)C)CC5=CC=NC=C5

InChI

InChI=1S/C28H39N5/c1-22-26-5-3-4-6-27(26)30-28(22)21-32(19-23-7-13-29-14-8-23)20-24-9-17-33(18-10-24)25-11-15-31(2)16-12-25/h3-8,13-14,24-25,30H,9-12,15-21H2,1-2H3/p+3