1-[(R)-(3-bromophenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-[(R)-(3-bromophenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Openeye Name: 1-[(R)-(3-bromophenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium CAS Name: 1-[(R)-(3-bromophenyl)-(1-methyl-2-pyrrolyl)methyl]piperazin-4-ium IUPAC Name: 1-[(R)-(3-bromophenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Traditional Name: 1-[(R)-(3-bromophenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Formula: C16H21BrN3+ MolecularWeight: 335.26204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(C2=CC(=CC=C2)Br)N3CC[NH2+]CC3

Isomeric SMILES

CN1C=CC=C1[C@@H](C2=CC(=CC=C2)Br)N3CC[NH2+]CC3

InChI

InChI=1S/C16H20BrN3/c1-19-9-3-6-15(19)16(20-10-7-18-8-11-20)13-4-2-5-14(17)12-13/h2-6,9,12,16,18H,7-8,10-11H2,1H3/p+1/t16-/m1/s1