N-[(1S)-1-(4-bromophenyl)ethyl]-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-[(1S)-1-(4-bromophenyl)ethyl]-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[(1S)-1-(4-bromophenyl)ethyl]-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[(1S)-1-(4-bromophenyl)ethyl]-4-(1-pyrrolidin-1-iumylmethyl)benzamide IUPAC Name: N-[(1S)-1-(4-bromophenyl)ethyl]-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[(1S)-1-(4-bromophenyl)ethyl]-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Formula: C20H24BrN2O+ MolecularWeight: 388.32136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)Br)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C20H23BrN2O/c1-15(17-8-10-19(21)11-9-17)22-20(24)18-6-4-16(5-7-18)14-23-12-2-3-13-23/h4-11,15H,2-3,12-14H2,1H3,(H,22,24)/p+1/t15-/m0/s1