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

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O/c1-5-20(6-2)12-8-10-14(4)19-17(21)15-11-7-9-13(3)16(15)18/h7,9,11,14H,5-6,8,10,12,18H2,1-4H3,(H,19,21)/p+1/t14-/m0/s1