1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[(1R)-1-phenylethyl]piperazin-4-ium

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[(1R)-1-phenylethyl]piperazin-4-ium Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[(1R)-1-phenylethyl]piperazin-4-ium CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[(1R)-1-phenylethyl]piperazin-4-ium IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[(1R)-1-phenylethyl]piperazin-4-ium Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[(1R)-1-phenylethyl]piperazin-4-ium Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H26N2O4S/c1-17(18-6-3-2-4-7-18)22-10-12-23(13-11-22)28(24,25)19-8-9-20-21(16-19)27-15-5-14-26-20/h2-4,6-9,16-17H,5,10-15H2,1H3/p+1/t17-/m1/s1