2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(3-methoxynaphthalen-2-yl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(3-methoxynaphthalen-2-yl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(3-methoxynaphthalene-2-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-[(3-methoxy-2-naphthalenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(3-methoxynaphthalene-2-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(3-methoxy-2-naphthoyl)amino]ethyl-dimethyl-ammonium Formula: C25H28N3O3S+ MolecularWeight: 450.57312

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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=CC=CC=C4C=C3OC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC4=CC=CC=C4C=C3OC

InChI

InChI=1S/C25H27N3O3S/c1-5-31-20-11-8-12-22-23(20)26-25(32-22)28(14-13-27(2)3)24(29)19-15-17-9-6-7-10-18(17)16-21(19)30-4/h6-12,15-16H,5,13-14H2,1-4H3/p+1