[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-[(4-dimethylaminophenyl)methyl]-methyl-azanium

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-[(4-dimethylaminophenyl)methyl]-methyl-azanium Openeye Name: (4-dimethylaminophenyl)methyl-methyl-[2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl]ammonium CAS Name: [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl]-[(4-dimethylaminophenyl)methyl]-methylammonium IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(4-dimethylaminophenyl)methyl]-methylazanium Traditional Name: [4-(dimethylamino)benzyl]-[2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl]-methyl-ammonium Formula: C17H29N4O2+ MolecularWeight: 321.43776

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)C[NH+](C)CC1=CC=C(C=C1)N(C)C

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)C[NH+](C)CC1=CC=C(C=C1)N(C)C

InChI

InChI=1S/C17H28N4O2/c1-6-13(2)18-17(23)19-16(22)12-21(5)11-14-7-9-15(10-8-14)20(3)4/h7-10,13H,6,11-12H2,1-5H3,(H2,18,19,22,23)/p+1/t13-/m0/s1