2-[(4-butoxyphenyl)carbonyl-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-butoxyphenyl)carbonyl-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-butoxybenzoyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-butoxybenzoyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-butoxybenzoyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)OC

InChI

InChI=1S/C23H29N3O3S/c1-5-6-15-29-18-9-7-17(8-10-18)22(27)26(14-13-25(2)3)23-24-20-12-11-19(28-4)16-21(20)30-23/h7-12,16H,5-6,13-15H2,1-4H3/p+1