[3-[(2-methoxy-5-methyl-phenyl)-(thiophen-2-ylmethyl)amino]-3-oxidanylidene-propyl]azanium

Systemtic Name: [3-[(2-methoxy-5-methyl-phenyl)-(thiophen-2-ylmethyl)amino]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[2-methoxy-5-methyl-N-(2-thienylmethyl)anilino]-3-oxo-propyl]ammonium CAS Name: [3-[2-methoxy-5-methyl-N-(thiophen-2-ylmethyl)anilino]-3-oxopropyl]ammonium IUPAC Name: [3-[2-methoxy-5-methyl-N-(thiophen-2-ylmethyl)anilino]-3-oxopropyl]azanium Traditional Name: [3-keto-3-[2-methoxy-5-methyl-N-(2-thenyl)anilino]propyl]ammonium Formula: C16H21N2O2S+ MolecularWeight: 305.41514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O2S/c1-12-5-6-15(20-2)14(10-12)18(16(19)7-8-17)11-13-4-3-9-21-13/h3-6,9-10H,7-8,11,17H2,1-2H3/p+1