(2S)-N-(4-bromophenyl)-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(4-bromophenyl)-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(4-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-bromophenyl)-2-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propionamide Formula: C19H27BrN3O2+ MolecularWeight: 409.34058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)[NH+]2CCC(CC2)C(=O)N3CCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)Br)[NH+]2CCC(CC2)C(=O)N3CCCC3

InChI

InChI=1S/C19H26BrN3O2/c1-14(18(24)21-17-6-4-16(20)5-7-17)22-12-8-15(9-13-22)19(25)23-10-2-3-11-23/h4-7,14-15H,2-3,8-13H2,1H3,(H,21,24)/p+1/t14-/m0/s1