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

Systemtic Name: (2R)-N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]oxolane-2-carboxamide Openeye Name: (2R)-N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]tetrahydrofuran-2-carboxamide CAS Name: (2R)-N-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-2-oxolanecarboxamide IUPAC Name: (2R)-N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]oxolane-2-carboxamide Traditional Name: (2R)-N-[[2-[4-(2-methoxyphenyl)piperazino]pyridin-1-ium-3-yl]methyl]tetrahydrofuran-2-carboxamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)C4CCCO4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)[C@H]4CCCO4

InChI

InChI=1S/C22H28N4O3/c1-28-19-8-3-2-7-18(19)25-11-13-26(14-12-25)21-17(6-4-10-23-21)16-24-22(27)20-9-5-15-29-20/h2-4,6-8,10,20H,5,9,11-16H2,1H3,(H,24,27)/p+1/t20-/m1/s1