2-[5-(4-chlorophenyl)carbonyl-1-(2-diethylaminoethyl)-1-(phenylmethyl)pyrrol-1-ium-2-yl]ethanamide

Systemtic Name: 2-[5-(4-chlorophenyl)carbonyl-1-(2-diethylaminoethyl)-1-(phenylmethyl)pyrrol-1-ium-2-yl]ethanamide Openeye Name: 2-[1-benzyl-5-(4-chlorobenzoyl)-1-(2-diethylaminoethyl)pyrrol-1-ium-2-yl]acetamide CAS Name: 2-[5-[(4-chlorophenyl)-oxomethyl]-1-(2-diethylaminoethyl)-1-(phenylmethyl)-2-pyrrol-1-iumyl]acetamide IUPAC Name: 2-[1-benzyl-5-(4-chlorobenzoyl)-1-(2-diethylaminoethyl)pyrrol-1-ium-2-yl]acetamide Traditional Name: 2-[1-benzyl-5-(4-chlorobenzoyl)-1-(2-diethylaminoethyl)pyrrol-1-ium-2-yl]acetamide Formula: C26H31ClN3O2+ MolecularWeight: 452.99624

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[N+]1(C(=CC=C1C(=O)C2=CC=C(C=C2)Cl)CC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)CC[N+]1(C(=CC=C1C(=O)C2=CC=C(C=C2)Cl)CC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C26H30ClN3O2/c1-3-29(4-2)16-17-30(19-20-8-6-5-7-9-20)23(18-25(28)31)14-15-24(30)26(32)21-10-12-22(27)13-11-21/h5-15H,3-4,16-19H2,1-2H3,(H-,28,31)/p+1