[3-[(2,3-dimethylphenyl)-(thiophen-2-ylmethyl)amino]-3-oxidanylidene-propyl]azanium

Systemtic Name: [3-[(2,3-dimethylphenyl)-(thiophen-2-ylmethyl)amino]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[2,3-dimethyl-N-(2-thienylmethyl)anilino]-3-oxo-propyl]ammonium CAS Name: [3-[2,3-dimethyl-N-(thiophen-2-ylmethyl)anilino]-3-oxopropyl]ammonium IUPAC Name: [3-[2,3-dimethyl-N-(thiophen-2-ylmethyl)anilino]-3-oxopropyl]azanium Traditional Name: [3-[2,3-dimethyl-N-(2-thenyl)anilino]-3-keto-propyl]ammonium Formula: C16H21N2OS+ MolecularWeight: 289.41574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N(CC2=CC=CS2)C(=O)CC[NH3+])C

Isomeric SMILES

CC1=C(C(=CC=C1)N(CC2=CC=CS2)C(=O)CC[NH3+])C

InChI

InChI=1S/C16H20N2OS/c1-12-5-3-7-15(13(12)2)18(16(19)8-9-17)11-14-6-4-10-20-14/h3-7,10H,8-9,11,17H2,1-2H3/p+1