2-[4-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperazin-4-ium-1-yl]-1,3-benzoxazole

Systemtic Name: 2-[4-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperazin-4-ium-1-yl]-1,3-benzoxazole Openeye Name: 2-[4-[(3S)-8-methoxychroman-3-yl]piperazin-4-ium-1-yl]-1,3-benzoxazole CAS Name: 2-[4-[(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-1-piperazin-4-iumyl]-1,3-benzoxazole IUPAC Name: 2-[4-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperazin-4-ium-1-yl]-1,3-benzoxazole Traditional Name: 2-[4-[(3S)-8-methoxychroman-3-yl]piperazin-4-ium-1-yl]-1,3-benzoxazole Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(C2)[NH+]3CCN(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC=CC2=C1OC[C@H](C2)[NH+]3CCN(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C21H23N3O3/c1-25-19-8-4-5-15-13-16(14-26-20(15)19)23-9-11-24(12-10-23)21-22-17-6-2-3-7-18(17)27-21/h2-8,16H,9-14H2,1H3/p+1/t16-/m0/s1