2-(4-ethylpiperazin-1-ium-1-yl)-N-[(1S)-1-pyridin-4-ylpropyl]-1,3-dihydroindene-2-carboxamide

Systemtic Name: 2-(4-ethylpiperazin-1-ium-1-yl)-N-[(1S)-1-pyridin-4-ylpropyl]-1,3-dihydroindene-2-carboxamide Openeye Name: 2-(4-ethylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-pyridyl)propyl]indane-2-carboxamide CAS Name: 2-(4-ethyl-1-piperazin-1-iumyl)-N-[(1S)-1-pyridin-4-ylpropyl]-1,3-dihydroindene-2-carboxamide IUPAC Name: 2-(4-ethylpiperazin-1-ium-1-yl)-N-[(1S)-1-pyridin-4-ylpropyl]-1,3-dihydroindene-2-carboxamide Traditional Name: 2-(4-ethylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-pyridyl)propyl]indane-2-carboxamide Formula: C24H33N4O+ MolecularWeight: 393.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=NC=C1)NC(=O)C2(CC3=CC=CC=C3C2)[NH+]4CCN(CC4)CC

Isomeric SMILES

CC[C@@H](C1=CC=NC=C1)NC(=O)C2(CC3=CC=CC=C3C2)[NH+]4CCN(CC4)CC

InChI

InChI=1S/C24H32N4O/c1-3-22(19-9-11-25-12-10-19)26-23(29)24(28-15-13-27(4-2)14-16-28)17-20-7-5-6-8-21(20)18-24/h5-12,22H,3-4,13-18H2,1-2H3,(H,26,29)/p+1/t22-/m0/s1