[3-butyl-3-ethyl-4-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-7-yl]-trimethyl-azanium

Systemtic Name: [3-butyl-3-ethyl-4-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-7-yl]-trimethyl-azanium Openeye Name: (3-butyl-3-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-7-yl)-trimethyl-ammonium CAS Name: (3-butyl-3-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-7-yl)-trimethylammonium IUPAC Name: (3-butyl-3-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-7-yl)-trimethylazanium Traditional Name: (3-butyl-3-ethyl-4-hydroxy-1,1-diketo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-7-yl)-trimethyl-ammonium Formula: C25H36NO3S+ MolecularWeight: 430.62324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)[N+](C)(C)C)C(C1O)C3=CC=CC=C3)CC

Isomeric SMILES

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)[N+](C)(C)C)C(C1O)C3=CC=CC=C3)CC

InChI

InChI=1S/C25H36NO3S/c1-6-8-16-25(7-2)18-30(28,29)22-15-14-20(26(3,4)5)17-21(22)23(24(25)27)19-12-10-9-11-13-19/h9-15,17,23-24,27H,6-8,16,18H2,1-5H3/q+1