(2S)-N-(2-bromanyl-4-methyl-phenyl)-2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2-bromanyl-4-methyl-phenyl)-2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]propionamide Formula: C23H27BrN3O+ MolecularWeight: 441.38398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)[NH+]2CCC(CC2)C3=CNC4=CC=CC=C43)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)[NH+]2CCC(CC2)C3=CNC4=CC=CC=C43)Br

InChI

InChI=1S/C23H26BrN3O/c1-15-7-8-22(20(24)13-15)26-23(28)16(2)27-11-9-17(10-12-27)19-14-25-21-6-4-3-5-18(19)21/h3-8,13-14,16-17,25H,9-12H2,1-2H3,(H,26,28)/p+1/t16-/m0/s1