1-(4-bromophenyl)carbonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)carbonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Openeye Name: 1-(4-bromobenzoyl)-N-(1-isopropylpiperidin-1-ium-4-yl)piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-(1-propan-2-yl-4-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-bromobenzoyl)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzoyl)-N-(1-isopropylpiperidin-1-ium-4-yl)isonipecotamide Formula: C21H31BrN3O2+ MolecularWeight: 437.39374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H30BrN3O2/c1-15(2)24-13-9-19(10-14-24)23-20(26)16-7-11-25(12-8-16)21(27)17-3-5-18(22)6-4-17/h3-6,15-16,19H,7-14H2,1-2H3,(H,23,26)/p+1