dibutyl-[2-[(6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepin-3-yl)carbonylamino]ethyl]azanium

Systemtic Name: dibutyl-[2-[(6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepin-3-yl)carbonylamino]ethyl]azanium Openeye Name: dibutyl-[2-[(6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]ethyl]ammonium CAS Name: dibutyl-[2-[[(6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepin-3-yl)-oxomethyl]amino]ethyl]ammonium IUPAC Name: dibutyl-[2-[(6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]ethyl]azanium Traditional Name: dibutyl-[2-[(6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]ethyl]ammonium Formula: C27H38N3OS+ MolecularWeight: 452.67512

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCNC(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)C)C(=CC)N2

Isomeric SMILES

CCCC[NH+](CCCC)CCNC(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)C)C(=CC)N2

InChI

InChI=1S/C27H37N3OS/c1-5-8-15-30(16-9-6-2)17-14-28-27(31)21-11-13-26-24(19-21)29-23(7-3)22-18-20(4)10-12-25(22)32-26/h7,10-13,18-19,29H,5-6,8-9,14-17H2,1-4H3,(H,28,31)/p+1