[3-[(3,4-dimethylphenyl)-(thiophen-2-ylmethyl)amino]-3-oxidanylidene-propyl]azanium

Systemtic Name: [3-[(3,4-dimethylphenyl)-(thiophen-2-ylmethyl)amino]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[3,4-dimethyl-N-(2-thienylmethyl)anilino]-3-oxo-propyl]ammonium CAS Name: [3-[3,4-dimethyl-N-(thiophen-2-ylmethyl)anilino]-3-oxopropyl]ammonium IUPAC Name: [3-[3,4-dimethyl-N-(thiophen-2-ylmethyl)anilino]-3-oxopropyl]azanium Traditional Name: [3-[3,4-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=C(C=C1)N(CC2=CC=CS2)C(=O)CC[NH3+])C

Isomeric SMILES

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

InChI

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