methyl 3,5-dimethyl-4-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 3,5-dimethyl-4-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanoyl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[1-oxo-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C21H29N3O3+2 MolecularWeight: 371.47326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)C)C(=O)OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)C)C(=O)OC

InChI

InChI=1S/C21H27N3O3/c1-15-19(16(2)22-20(15)21(26)27-3)18(25)14-24-11-9-23(10-12-24)13-17-7-5-4-6-8-17/h4-8,22H,9-14H2,1-3H3/p+2