2-methylpropyl-[2-oxidanylidene-2-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]ethyl]azanium

Systemtic Name: 2-methylpropyl-[2-oxidanylidene-2-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]ethyl]azanium Openeye Name: [2-[benzyl(2-thienylmethyl)amino]-2-oxo-ethyl]-isobutyl-ammonium CAS Name: 2-methylpropyl-[2-oxo-2-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]ethyl]ammonium IUPAC Name: [2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-(2-methylpropyl)azanium Traditional Name: [2-[benzyl(2-thenyl)amino]-2-keto-ethyl]-isobutyl-ammonium Formula: C18H25N2OS+ MolecularWeight: 317.4689

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]CC(=O)N(CC1=CC=CC=C1)CC2=CC=CS2

Isomeric SMILES

CC(C)C[NH2+]CC(=O)N(CC1=CC=CC=C1)CC2=CC=CS2

InChI

InChI=1S/C18H24N2OS/c1-15(2)11-19-12-18(21)20(14-17-9-6-10-22-17)13-16-7-4-3-5-8-16/h3-10,15,19H,11-14H2,1-2H3/p+1