3-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]propyl-diethyl-azanium Openeye Name: 3-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]propyl-diethyl-ammonium CAS Name: 3-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]propyl-diethylammonium IUPAC Name: 3-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]propyl-diethylazanium Traditional Name: 3-[[(7S)-7-acetamido-9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]propyl-diethyl-ammonium Formula: C28H40N3O5+ MolecularWeight: 498.6343

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C

Isomeric SMILES

CC[NH+](CC)CCCNC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C

InChI

InChI=1S/C28H39N3O5/c1-7-31(8-2)15-9-14-29-23-13-11-20-21(17-24(23)33)22(30-18(3)32)12-10-19-16-25(34-4)27(35-5)28(36-6)26(19)20/h11,13,16-17,22H,7-10,12,14-15H2,1-6H3,(H,29,33)(H,30,32)/p+1/t22-/m0/s1