3-methyl-N-[1-(phenethylcarbamoyl)-1-propan-2-yl-piperidin-1-ium-2-yl]-1H-indole-6-carboxamide

Systemtic Name: 3-methyl-N-[1-(phenethylcarbamoyl)-1-propan-2-yl-piperidin-1-ium-2-yl]-1H-indole-6-carboxamide Openeye Name: N-[1-isopropyl-1-(phenethylcarbamoyl)piperidin-1-ium-2-yl]-3-methyl-1H-indole-6-carboxamide CAS Name: 3-methyl-N-[1-[oxo-(phenethylamino)methyl]-1-propan-2-yl-2-piperidin-1-iumyl]-1H-indole-6-carboxamide IUPAC Name: 3-methyl-N-[1-(phenethylcarbamoyl)-1-propan-2-ylpiperidin-1-ium-2-yl]-1H-indole-6-carboxamide Traditional Name: N-[1-isopropyl-1-(phenethylcarbamoyl)piperidin-1-ium-2-yl]-3-methyl-1H-indole-6-carboxamide Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC2=C1C=CC(=C2)C(=O)NC3CCCC[N+]3(C(C)C)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CNC2=C1C=CC(=C2)C(=O)NC3CCCC[N+]3(C(C)C)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2/c1-19(2)31(27(33)28-15-14-21-9-5-4-6-10-21)16-8-7-11-25(31)30-26(32)22-12-13-23-20(3)18-29-24(23)17-22/h4-6,9-10,12-13,17-19,25H,7-8,11,14-16H2,1-3H3,(H2-,28,29,30,32,33)/p+1