[4-(methylcarbamoyl)phenyl]methyl-[(3S,5S)-5-methylheptan-3-yl]azanium

Systemtic Name: [4-(methylcarbamoyl)phenyl]methyl-[(3S,5S)-5-methylheptan-3-yl]azanium Openeye Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-[[4-(methylcarbamoyl)phenyl]methyl]ammonium CAS Name: [4-(methylcarbamoyl)phenyl]methyl-[(3S,5S)-5-methylheptan-3-yl]ammonium IUPAC Name: [4-(methylcarbamoyl)phenyl]methyl-[(3S,5S)-5-methylheptan-3-yl]azanium Traditional Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-[4-(methylcarbamoyl)benzyl]ammonium Formula: C17H29N2O+ MolecularWeight: 277.42496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O/c1-5-13(3)11-16(6-2)19-12-14-7-9-15(10-8-14)17(20)18-4/h7-10,13,16,19H,5-6,11-12H2,1-4H3,(H,18,20)/p+1/t13-,16-/m0/s1