(2R)-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]oxane-2-carboxamide

Systemtic Name: (2R)-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]oxane-2-carboxamide Openeye Name: (2R)-N-[[2-[4-(o-tolyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]tetrahydropyran-2-carboxamide CAS Name: (2R)-N-[[2-[4-(2-methylphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-2-oxanecarboxamide IUPAC Name: (2R)-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]oxane-2-carboxamide Traditional Name: (2R)-N-[[2-[4-(o-tolyl)piperazino]pyridin-1-ium-3-yl]methyl]tetrahydropyran-2-carboxamide Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)C4CCCCO4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)[C@H]4CCCCO4

InChI

InChI=1S/C23H30N4O2/c1-18-7-2-3-9-20(18)26-12-14-27(15-13-26)22-19(8-6-11-24-22)17-25-23(28)21-10-4-5-16-29-21/h2-3,6-9,11,21H,4-5,10,12-17H2,1H3,(H,25,28)/p+1/t21-/m1/s1