(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N3O3/c1-16(23-9-11-24(12-10-23)18-5-3-2-4-6-18)21(25)22-17-7-8-19-20(15-17)27-14-13-26-19/h2-8,15-16H,9-14H2,1H3,(H,22,25)/p+1/t16-/m1/s1