1-[1-[5-(4-chlorophenyl)carbonyl-1-propyl-pyrrol-3-yl]piperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-[1-[5-(4-chlorophenyl)carbonyl-1-propyl-pyrrol-3-yl]piperidin-1-ium-1-yl]ethanone Openeye Name: 1-[1-[5-(4-chlorobenzoyl)-1-propyl-pyrrol-3-yl]piperidin-1-ium-1-yl]ethanone CAS Name: 1-[1-[5-[(4-chlorophenyl)-oxomethyl]-1-propyl-3-pyrrolyl]-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-[1-[5-(4-chlorobenzoyl)-1-propylpyrrol-3-yl]piperidin-1-ium-1-yl]ethanone Traditional Name: 1-[1-[5-(4-chlorobenzoyl)-1-propyl-pyrrol-3-yl]piperidin-1-ium-1-yl]ethanone Formula: C21H26ClN2O2+ MolecularWeight: 373.89634

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C=C1C(=O)C2=CC=C(C=C2)Cl)[N+]3(CCCCC3)C(=O)C

Isomeric SMILES

CCCN1C=C(C=C1C(=O)C2=CC=C(C=C2)Cl)[N+]3(CCCCC3)C(=O)C

InChI

InChI=1S/C21H26ClN2O2/c1-3-11-23-15-19(24(16(2)25)12-5-4-6-13-24)14-20(23)21(26)17-7-9-18(22)10-8-17/h7-10,14-15H,3-6,11-13H2,1-2H3/q+1