(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-indan-5-yl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-indan-5-yl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C21H28N4O+2 MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CCC2)C=C1)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(CCC2)C=C1)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H26N4O/c1-16(21(26)23-19-9-8-17-5-4-6-18(17)15-19)24-11-13-25(14-12-24)20-7-2-3-10-22-20/h2-3,7-10,15-16H,4-6,11-14H2,1H3,(H,23,26)/p+2/t16-/m1/s1