[(4S)-4-[(3-azanyl-2-methyl-phenyl)carbonylamino]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[(3-azanyl-2-methyl-phenyl)carbonylamino]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[(3-amino-2-methyl-benzoyl)amino]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[[(3-amino-2-methylphenyl)-oxomethyl]amino]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[(3-amino-2-methylbenzoyl)amino]pentyl]-diethylazanium Traditional Name: [(4S)-4-[(3-amino-2-methyl-benzoyl)amino]pentyl]-diethyl-ammonium Formula: C17H30N3O+ MolecularWeight: 292.4396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O/c1-5-20(6-2)12-8-9-13(3)19-17(21)15-10-7-11-16(18)14(15)4/h7,10-11,13H,5-6,8-9,12,18H2,1-4H3,(H,19,21)/p+1/t13-/m0/s1