[(2S)-1-(4,7-dimethyl-2-oxidanylidene-chromen-6-yl)oxy-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-yl] N-tert-butylcarbamate

Systemtic Name: [(2S)-1-(4,7-dimethyl-2-oxidanylidene-chromen-6-yl)oxy-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-yl] N-tert-butylcarbamate Openeye Name: [(1S)-1-[(4,7-dimethyl-2-oxo-chromen-6-yl)oxymethyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethyl] N-tert-butylcarbamate CAS Name: N-tert-butylcarbamic acid [(2S)-1-[(4,7-dimethyl-2-oxo-1-benzopyran-6-yl)oxy]-3-(4-phenyl-1-piperazin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2S)-1-(4,7-dimethyl-2-oxochromen-6-yl)oxy-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-yl] N-tert-butylcarbamate Traditional Name: N-tert-butylcarbamic acid [(1S)-1-[(2-keto-4,7-dimethyl-chromen-6-yl)oxymethyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethyl] ester Formula: C29H38N3O5+ MolecularWeight: 508.62912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)OCC(C[NH+]3CCN(CC3)C4=CC=CC=C4)OC(=O)NC(C)(C)C)C

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)OC[C@H](C[NH+]3CCN(CC3)C4=CC=CC=C4)OC(=O)NC(C)(C)C)C

InChI

InChI=1S/C29H37N3O5/c1-20-16-27(33)37-26-15-21(2)25(17-24(20)26)35-19-23(36-28(34)30-29(3,4)5)18-31-11-13-32(14-12-31)22-9-7-6-8-10-22/h6-10,15-17,23H,11-14,18-19H2,1-5H3,(H,30,34)/p+1/t23-/m0/s1