diethyl-[(4S)-4-[(4-nitrophenyl)methyl-(phenylcarbonyl)amino]pentyl]azanium

Systemtic Name: diethyl-[(4S)-4-[(4-nitrophenyl)methyl-(phenylcarbonyl)amino]pentyl]azanium Openeye Name: [(4S)-4-[benzoyl-[(4-nitrophenyl)methyl]amino]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[benzoyl-[(4-nitrophenyl)methyl]amino]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[benzoyl-[(4-nitrophenyl)methyl]amino]pentyl]-diethylazanium Traditional Name: [(4S)-4-[benzoyl-(4-nitrobenzyl)amino]pentyl]-diethyl-ammonium Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)N(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)N(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H31N3O3/c1-4-24(5-2)17-9-10-19(3)25(23(27)21-11-7-6-8-12-21)18-20-13-15-22(16-14-20)26(28)29/h6-8,11-16,19H,4-5,9-10,17-18H2,1-3H3/p+1/t19-/m0/s1