(3R)-N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=NNC(=O)C2COC3=CC=CC=C3O2)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1=NNC(=O)[C@H]2COC3=CC=CC=C3O2)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3/c25-21(20-15-26-18-8-4-5-9-19(18)27-20)23-22-17-10-12-24(13-11-17)14-16-6-2-1-3-7-16/h1-9,20H,10-15H2,(H,23,25)/p+1/t20-/m1/s1