3-[4-[[cyclopropyl-(3-methylthiophen-2-yl)carbonyl-amino]methyl]phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[4-[[cyclopropyl-(3-methylthiophen-2-yl)carbonyl-amino]methyl]phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[4-[[cyclopropyl-(3-methylthiophene-2-carbonyl)amino]methyl]phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[4-[[cyclopropyl-[(3-methyl-2-thiophenyl)-oxomethyl]amino]methyl]phenoxy]propyl-dimethylammonium IUPAC Name: 3-[4-[[cyclopropyl-(3-methylthiophene-2-carbonyl)amino]methyl]phenoxy]propyl-dimethylazanium Traditional Name: 3-[4-[[cyclopropyl-(3-methylthiophene-2-carbonyl)amino]methyl]phenoxy]propyl-dimethyl-ammonium Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)N(CC2=CC=C(C=C2)OCCC[NH+](C)C)C3CC3

Isomeric SMILES

CC1=C(SC=C1)C(=O)N(CC2=CC=C(C=C2)OCCC[NH+](C)C)C3CC3

InChI

InChI=1S/C21H28N2O2S/c1-16-11-14-26-20(16)21(24)23(18-7-8-18)15-17-5-9-19(10-6-17)25-13-4-12-22(2)3/h5-6,9-11,14,18H,4,7-8,12-13,15H2,1-3H3/p+1