2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(5,6,7,8-tetrahydronaphthalen-2-ylcarbonyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(5,6,7,8-tetrahydronaphthalen-2-ylcarbonyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(tetralin-6-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-[oxo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(tetralin-6-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C24H30N3O2S+ MolecularWeight: 424.5789

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC4=C(CCCC4)C=C3

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C24H29N3O2S/c1-4-29-20-10-7-11-21-22(20)25-24(30-21)27(15-14-26(2)3)23(28)19-13-12-17-8-5-6-9-18(17)16-19/h7,10-13,16H,4-6,8-9,14-15H2,1-3H3/p+1