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

Systemtic Name: [(4S)-4-[(2-bromophenyl)methylazaniumyl]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[(2-bromophenyl)methylammonio]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[(2-bromophenyl)methylammonio]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[(2-bromophenyl)methylazaniumyl]pentyl]-diethylazanium Traditional Name: [(4S)-4-[(2-bromobenzyl)ammonio]pentyl]-diethyl-ammonium Formula: C16H29BrN2+2 MolecularWeight: 329.31886

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)[NH2+]CC1=CC=CC=C1Br

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)[NH2+]CC1=CC=CC=C1Br

InChI

InChI=1S/C16H27BrN2/c1-4-19(5-2)12-8-9-14(3)18-13-15-10-6-7-11-16(15)17/h6-7,10-11,14,18H,4-5,8-9,12-13H2,1-3H3/p+2/t14-/m0/s1