N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-1-methyl-4-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-1-methyl-4-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-1-methyl-4-phenyl-piperidin-1-ium-4-carboxamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-1-methyl-4-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-1-methyl-4-phenylpiperidin-1-ium-4-carboxamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-1-methyl-4-phenyl-piperidin-1-ium-4-carboxamide Formula: C27H37N3O+2 MolecularWeight: 419.60218

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)(C2=CC=CC=C2)C(=O)NC3CCC[NH+](C3)C4CC5=CC=CC=C5C4

Isomeric SMILES

C[NH+]1CCC(CC1)(C2=CC=CC=C2)C(=O)N[C@H]3CCC[NH+](C3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C27H35N3O/c1-29-16-13-27(14-17-29,23-10-3-2-4-11-23)26(31)28-24-12-7-15-30(20-24)25-18-21-8-5-6-9-22(21)19-25/h2-6,8-11,24-25H,7,12-20H2,1H3,(H,28,31)/p+2/t24-/m0/s1