(3-chlorophenyl)-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-chlorophenyl)-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3-chlorophenyl)-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-chlorophenyl)-[4-[(1-methyl-2-pyrrolyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-chlorophenyl)-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3-chlorophenyl)-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C17H21ClN3O+ MolecularWeight: 318.82114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H20ClN3O/c1-19-7-3-6-16(19)13-20-8-10-21(11-9-20)17(22)14-4-2-5-15(18)12-14/h2-7,12H,8-11,13H2,1H3/p+1