(2S)-2-(4-bromophenyl)-2-piperazin-4-ium-1-yl-butanenitrile

Systemtic Name: (2S)-2-(4-bromophenyl)-2-piperazin-4-ium-1-yl-butanenitrile Openeye Name: (2S)-2-(4-bromophenyl)-2-piperazin-4-ium-1-yl-butanenitrile CAS Name: (2S)-2-(4-bromophenyl)-2-(1-piperazin-4-iumyl)butanenitrile IUPAC Name: (2S)-2-(4-bromophenyl)-2-piperazin-4-ium-1-ylbutanenitrile Traditional Name: (2S)-2-(4-bromophenyl)-2-piperazin-4-ium-1-yl-butyronitrile Formula: C14H19BrN3+ MolecularWeight: 309.22476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)(C1=CC=C(C=C1)Br)N2CC[NH2+]CC2

Isomeric SMILES

CC[C@@](C#N)(C1=CC=C(C=C1)Br)N2CC[NH2+]CC2

InChI

InChI=1S/C14H18BrN3/c1-2-14(11-16,18-9-7-17-8-10-18)12-3-5-13(15)6-4-12/h3-6,17H,2,7-10H2,1H3/p+1/t14-/m1/s1