(4-acetamidophenyl)methyl-[(2S)-6-methylheptan-2-yl]azanium

Systemtic Name: (4-acetamidophenyl)methyl-[(2S)-6-methylheptan-2-yl]azanium Openeye Name: (4-acetamidophenyl)methyl-[(1S)-1,5-dimethylhexyl]ammonium CAS Name: (4-acetamidophenyl)methyl-[(2S)-6-methylheptan-2-yl]ammonium IUPAC Name: (4-acetamidophenyl)methyl-[(2S)-6-methylheptan-2-yl]azanium Traditional Name: (4-acetamidobenzyl)-[(1S)-1,5-dimethylhexyl]ammonium Formula: C17H29N2O+ MolecularWeight: 277.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)[NH2+]CC1=CC=C(C=C1)NC(=O)C

Isomeric SMILES

C[C@@H](CCCC(C)C)[NH2+]CC1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C17H28N2O/c1-13(2)6-5-7-14(3)18-12-16-8-10-17(11-9-16)19-15(4)20/h8-11,13-14,18H,5-7,12H2,1-4H3,(H,19,20)/p+1/t14-/m0/s1