(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenethyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenethylpiperazin-1-ium-1-yl)propionamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+]3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+]3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3/c1-18(23(27)24-20-7-8-21-22(17-20)29-16-15-28-21)26-13-11-25(12-14-26)10-9-19-5-3-2-4-6-19/h2-8,17-18H,9-16H2,1H3,(H,24,27)/p+1/t18-/m0/s1