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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2/c1-14-7-8-18(17(19)11-14)20-16-9-10-21(13-16)12-15-5-3-2-4-6-15/h2-8,11,16,20H,9-10,12-13H2,1H3/p+1/t16-/m0/s1