[(4S)-4-[(3-bromophenyl)methylazaniumyl]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[(3-bromophenyl)methylazaniumyl]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[(3-bromophenyl)methylammonio]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[(3-bromophenyl)methylammonio]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[(3-bromophenyl)methylazaniumyl]pentyl]-diethylazanium Traditional Name: [(4S)-4-[(3-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=C1)Br

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)[NH2+]CC1=CC(=CC=C1)Br

InChI

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