dimethyl-[(1S)-2-[(2-methylphenyl)methylcarbamoylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[(2-methylphenyl)methylcarbamoylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-(o-tolylmethylcarbamoylamino)-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[[(2-methylphenyl)methylamino]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(2-methylphenyl)methylcarbamoylamino]-1-thiophen-3-ylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[(2-methylbenzyl)carbamoylamino]-1-(3-thienyl)ethyl]ammonium Formula: C17H24N3OS+ MolecularWeight: 318.45696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)NCC(C2=CSC=C2)[NH+](C)C

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)NC[C@H](C2=CSC=C2)[NH+](C)C

InChI

InChI=1S/C17H23N3OS/c1-13-6-4-5-7-14(13)10-18-17(21)19-11-16(20(2)3)15-8-9-22-12-15/h4-9,12,16H,10-11H2,1-3H3,(H2,18,19,21)/p+1/t16-/m1/s1