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

Systemtic Name: (3S)-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]oxolane-3-carboxamide Openeye Name: (3S)-N-[[2-[4-(o-tolyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]tetrahydrofuran-3-carboxamide CAS Name: (3S)-N-[[2-[4-(2-methylphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-3-oxolanecarboxamide IUPAC Name: (3S)-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]oxolane-3-carboxamide Traditional Name: (3S)-N-[[2-[4-(o-tolyl)piperazino]pyridin-1-ium-3-yl]methyl]tetrahydrofuran-3-carboxamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)C4CCOC4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)[C@H]4CCOC4

InChI

InChI=1S/C22H28N4O2/c1-17-5-2-3-7-20(17)25-10-12-26(13-11-25)21-18(6-4-9-23-21)15-24-22(27)19-8-14-28-16-19/h2-7,9,19H,8,10-16H2,1H3,(H,24,27)/p+1/t19-/m0/s1