[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-[2-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-[2-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl]-methyl-[2-[(5-methyl-2-thienyl)methyl-phenethyl-amino]-2-oxo-ethyl]ammonium CAS Name: [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[(5-methyl-2-thiophenyl)methyl-phenethylamino]-2-oxoethyl]ammonium IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[(5-methylthiophen-2-yl)methyl-phenethylamino]-2-oxoethyl]azanium Traditional Name: [2-(cyclopropylamino)-2-keto-ethyl]-[2-keto-2-[(5-methyl-2-thienyl)methyl-phenethyl-amino]ethyl]-methyl-ammonium Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)C[NH+](C)CC(=O)NC3CC3

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)C[NH+](C)CC(=O)NC3CC3

InChI

InChI=1S/C22H29N3O2S/c1-17-8-11-20(28-17)14-25(13-12-18-6-4-3-5-7-18)22(27)16-24(2)15-21(26)23-19-9-10-19/h3-8,11,19H,9-10,12-16H2,1-2H3,(H,23,26)/p+1