(3R)-1-oxidanylidene-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3R)-1-oxidanylidene-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3R)-1-oxo-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]isochromane-3-carboxamide CAS Name: (3R)-1-oxo-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3R)-1-oxo-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3R)-1-keto-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]isochroman-3-carboxamide Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C2CC3=CC=CC=C3C(=O)O2)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)[C@H]2CC3=CC=CC=C3C(=O)O2)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3/c26-21(20-16-17-6-4-5-9-19(17)22(27)28-20)23-10-11-24-12-14-25(15-13-24)18-7-2-1-3-8-18/h1-9,20H,10-16H2,(H,23,26)/p+1/t20-/m1/s1