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

Systemtic Name: 2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]ethylazanium Openeye Name: 2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]ethylammonium CAS Name: 2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]ethylammonium IUPAC Name: 2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]ethylazanium Traditional Name: 2-[[(7S)-7-acetamido-9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]ethylammonium Formula: C23H30N3O5+ MolecularWeight: 428.5014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCC[NH3+])OC)OC)OC

Isomeric SMILES

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCC[NH3+])OC)OC)OC

InChI

InChI=1S/C23H29N3O5/c1-13(27)26-17-7-5-14-11-20(29-2)22(30-3)23(31-4)21(14)15-6-8-18(25-10-9-24)19(28)12-16(15)17/h6,8,11-12,17H,5,7,9-10,24H2,1-4H3,(H,25,28)(H,26,27)/p+1/t17-/m0/s1