3-[[4-(azepan-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]-1H-indole

Systemtic Name: 3-[[4-(azepan-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-(azepan-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-(1-azepan-1-iumyl)-1-piperidin-1-iumyl]methyl]-1H-indole IUPAC Name: 3-[[4-(azepan-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 3-[[4-(azepan-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]-1H-indole Formula: C20H31N3+2 MolecularWeight: 313.48024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC[NH+](CC2)CC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CCC[NH+](CC1)C2CC[NH+](CC2)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C20H29N3/c1-2-6-12-23(11-5-1)18-9-13-22(14-10-18)16-17-15-21-20-8-4-3-7-19(17)20/h3-4,7-8,15,18,21H,1-2,5-6,9-14,16H2/p+2