diethyl-[(4S)-4-[[[(2-methylphenyl)carbonylamino]-propan-2-yloxy-methylidene]amino]pentyl]azanium

Systemtic Name: diethyl-[(4S)-4-[[[(2-methylphenyl)carbonylamino]-propan-2-yloxy-methylidene]amino]pentyl]azanium Openeye Name: diethyl-[(4S)-4-[[isopropoxy-[(2-methylbenzoyl)amino]methylene]amino]pentyl]ammonium CAS Name: diethyl-[(4S)-4-[[[[(2-methylphenyl)-oxomethyl]amino]-propan-2-yloxymethylidene]amino]pentyl]ammonium IUPAC Name: diethyl-[(4S)-4-[[[(2-methylbenzoyl)amino]-propan-2-yloxymethylidene]amino]pentyl]azanium Traditional Name: diethyl-[(4S)-4-[[isopropoxy-(o-toluoylamino)methylene]amino]pentyl]ammonium Formula: C21H36N3O2+ MolecularWeight: 362.52944

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)N=C(NC(=O)C1=CC=CC=C1C)OC(C)C

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)N=C(NC(=O)C1=CC=CC=C1C)OC(C)C

InChI

InChI=1S/C21H35N3O2/c1-7-24(8-2)15-11-13-18(6)22-21(26-16(3)4)23-20(25)19-14-10-9-12-17(19)5/h9-10,12,14,16,18H,7-8,11,13,15H2,1-6H3,(H,22,23,25)/p+1/t18-/m0/s1