2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3-methylphenyl)carbonyl-amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3-methylphenyl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3-methylbenzoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-[(3-methylphenyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3-methylbenzoyl)amino]ethyl-diethylazanium Traditional Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-m-toluoyl-amino]ethyl-diethyl-ammonium Formula: C23H30N3OS+ MolecularWeight: 396.5688

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC(=C2C)C)C(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC(=C2C)C)C(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C23H29N3OS/c1-6-25(7-2)13-14-26(22(27)19-10-8-9-16(3)15-19)23-24-21-18(5)17(4)11-12-20(21)28-23/h8-12,15H,6-7,13-14H2,1-5H3/p+1