diethyl-[(4S)-4-[(2-nitrophenyl)methylazaniumyl]pentyl]azanium

Systemtic Name: diethyl-[(4S)-4-[(2-nitrophenyl)methylazaniumyl]pentyl]azanium Openeye Name: diethyl-[(4S)-4-[(2-nitrophenyl)methylammonio]pentyl]ammonium CAS Name: diethyl-[(4S)-4-[(2-nitrophenyl)methylammonio]pentyl]ammonium IUPAC Name: diethyl-[(4S)-4-[(2-nitrophenyl)methylazaniumyl]pentyl]azanium Traditional Name: diethyl-[(4S)-4-[(2-nitrobenzyl)ammonio]pentyl]ammonium Formula: C16H29N3O2+2 MolecularWeight: 295.42036

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)[NH2+]CC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)[NH2+]CC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C16H27N3O2/c1-4-18(5-2)12-8-9-14(3)17-13-15-10-6-7-11-16(15)19(20)21/h6-7,10-11,14,17H,4-5,8-9,12-13H2,1-3H3/p+2/t14-/m0/s1