3-acetamido-N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-benzamide

Systemtic Name: 3-acetamido-N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-benzamide Openeye Name: 3-acetamido-N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-benzamide CAS Name: 3-acetamido-N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-N-methylbenzamide IUPAC Name: 3-acetamido-N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methylbenzamide Traditional Name: 3-acetamido-N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-benzamide Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)N(C)C2CCC[NH+](C2)C3CC4=CC=CC=C4C3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)N(C)[C@H]2CCC[NH+](C2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C24H29N3O2/c1-17(28)25-21-10-5-9-20(13-21)24(29)26(2)22-11-6-12-27(16-22)23-14-18-7-3-4-8-19(18)15-23/h3-5,7-10,13,22-23H,6,11-12,14-16H2,1-2H3,(H,25,28)/p+1/t22-/m0/s1