[2-[(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(3-phenylpropyl)azanium

Systemtic Name: [2-[(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(3-phenylpropyl)azanium Openeye Name: [2-[(3-carbamoyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]-(3-phenylpropyl)ammonium CAS Name: [2-[(3-carbamoyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]-(3-phenylpropyl)ammonium IUPAC Name: [2-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-(3-phenylpropyl)azanium Traditional Name: [2-[(3-carbamoyl-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]-(3-phenylpropyl)ammonium Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)C[NH2+]CCCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)C[NH2+]CCCC2=CC=CC=C2)C

InChI

InChI=1S/C18H23N3O2S/c1-12-13(2)24-18(16(12)17(19)23)21-15(22)11-20-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,20H,6,9-11H2,1-2H3,(H2,19,23)(H,21,22)/p+1