1-oxidanidyl-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-oxidanidyl-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-oxido-N-[(R)-tetralin-6-yl(2-thienyl)methyl]pyridin-1-ium-3-carboxamide CAS Name: 1-oxido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-oxido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-oxido-N-[(R)-tetralin-6-yl(2-thienyl)methyl]pyridin-1-ium-3-carboxamide Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)C(C3=CC=CS3)NC(=O)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)[C@H](C3=CC=CS3)NC(=O)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C21H20N2O2S/c24-21(18-7-3-11-23(25)14-18)22-20(19-8-4-12-26-19)17-10-9-15-5-1-2-6-16(15)13-17/h3-4,7-14,20H,1-2,5-6H2,(H,22,24)/t20-/m1/s1