(3S)-N-(4-bromanyl-2-methyl-phenyl)-1-(phenylmethyl)pyrrolidin-1-ium-3-amine

Systemtic Name: (3S)-N-(4-bromanyl-2-methyl-phenyl)-1-(phenylmethyl)pyrrolidin-1-ium-3-amine Openeye Name: (3S)-1-benzyl-N-(4-bromo-2-methyl-phenyl)pyrrolidin-1-ium-3-amine CAS Name: (3S)-N-(4-bromo-2-methylphenyl)-1-(phenylmethyl)-3-pyrrolidin-1-iumamine IUPAC Name: (3S)-1-benzyl-N-(4-bromo-2-methylphenyl)pyrrolidin-1-ium-3-amine Traditional Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-(4-bromo-2-methyl-phenyl)amine Formula: C18H22BrN2+ MolecularWeight: 346.28468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC2CC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H21BrN2/c1-14-11-16(19)7-8-18(14)20-17-9-10-21(13-17)12-15-5-3-2-4-6-15/h2-8,11,17,20H,9-10,12-13H2,1H3/p+1/t17-/m0/s1