3-methyl-N-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-1-ium-1-yl)carbonylamino]ethyl]-1H-indole-6-carboxamide

Systemtic Name: 3-methyl-N-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-1-ium-1-yl)carbonylamino]ethyl]-1H-indole-6-carboxamide Openeye Name: N-[(1R)-2-[(1-isopropylpiperidin-1-ium-1-carbonyl)amino]-1-phenyl-ethyl]-3-methyl-1H-indole-6-carboxamide CAS Name: 3-methyl-N-[(1R)-2-[[oxo-(1-propan-2-yl-1-piperidin-1-iumyl)methyl]amino]-1-phenylethyl]-1H-indole-6-carboxamide IUPAC Name: 3-methyl-N-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-1-ium-1-carbonyl)amino]ethyl]-1H-indole-6-carboxamide Traditional Name: N-[(1R)-2-[(1-isopropylpiperidin-1-ium-1-carbonyl)amino]-1-phenyl-ethyl]-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)NC(CNC(=O)[N+]3(CCCCC3)C(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CNC2=C1C=CC(=C2)C(=O)N[C@@H](CNC(=O)[N+]3(CCCCC3)C(C)C)C4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2/c1-19(2)31(14-8-5-9-15-31)27(33)29-18-25(21-10-6-4-7-11-21)30-26(32)22-12-13-23-20(3)17-28-24(23)16-22/h4,6-7,10-13,16-17,19,25H,5,8-9,14-15,18H2,1-3H3,(H2-,28,29,30,32,33)/p+1/t25-/m0/s1