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

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]cyclohexene-1-carboxamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]cyclohexene-1-carboxamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-1-cyclohexenecarboxamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]cyclohexene-1-carboxamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]cyclohexene-1-carboxamide Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C(=O)NC2CCC[NH+](C2)C3CC4=CC=CC=C4C3

Isomeric SMILES

C1CCC(=CC1)C(=O)N[C@H]2CCC[NH+](C2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C21H28N2O/c24-21(16-7-2-1-3-8-16)22-19-11-6-12-23(15-19)20-13-17-9-4-5-10-18(17)14-20/h4-5,7,9-10,19-20H,1-3,6,8,11-15H2,(H,22,24)/p+1/t19-/m0/s1