2-[3-[[(3S)-3-(4-methoxy-3,5-dimethyl-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]indol-1-yl]ethanamide

Systemtic Name: 2-[3-[[(3S)-3-(4-methoxy-3,5-dimethyl-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]indol-1-yl]ethanamide Openeye Name: 2-[3-[[(3S)-3-(4-methoxy-3,5-dimethyl-benzoyl)piperidin-1-ium-1-yl]methyl]indol-1-yl]acetamide CAS Name: 2-[3-[[(3S)-3-[(4-methoxy-3,5-dimethylphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]-1-indolyl]acetamide IUPAC Name: 2-[3-[[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-ium-1-yl]methyl]indol-1-yl]acetamide Traditional Name: 2-[3-[[(3S)-3-(4-methoxy-3,5-dimethyl-benzoyl)piperidin-1-ium-1-yl]methyl]indol-1-yl]acetamide Formula: C26H32N3O3+ MolecularWeight: 434.55058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)C(=O)C2CCC[NH+](C2)CC3=CN(C4=CC=CC=C43)CC(=O)N

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)C(=O)[C@H]2CCC[NH+](C2)CC3=CN(C4=CC=CC=C43)CC(=O)N

InChI

InChI=1S/C26H31N3O3/c1-17-11-20(12-18(2)26(17)32-3)25(31)19-7-6-10-28(13-19)14-21-15-29(16-24(27)30)23-9-5-4-8-22(21)23/h4-5,8-9,11-12,15,19H,6-7,10,13-14,16H2,1-3H3,(H2,27,30)/p+1/t19-/m0/s1