N-[(2S)-butan-2-yl]-4-(4-ethylpiperazin-4-ium-1-yl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-2-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-4-(4-ethylpiperazin-4-ium-1-yl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-2-carboxamide Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3,5-dimethyl-N-[(1S)-1-methylpropyl]-1-(o-tolylmethyl)pyrrole-2-carboxamide CAS Name: N-[(2S)-butan-2-yl]-4-(4-ethyl-1-piperazin-4-iumyl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]-2-pyrrolecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-4-(4-ethylpiperazin-4-ium-1-yl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-2-carboxamide Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3,5-dimethyl-1-(2-methylbenzyl)-N-[(1S)-1-methylpropyl]pyrrole-2-carboxamide Formula: C25H39N4O+ MolecularWeight: 411.60336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C(=C(N1CC2=CC=CC=C2C)C)N3CC[NH+](CC3)CC)C

Isomeric SMILES

CC[C@H](C)NC(=O)C1=C(C(=C(N1CC2=CC=CC=C2C)C)N3CC[NH+](CC3)CC)C

InChI

InChI=1S/C25H38N4O/c1-7-19(4)26-25(30)24-20(5)23(28-15-13-27(8-2)14-16-28)21(6)29(24)17-22-12-10-9-11-18(22)3/h9-12,19H,7-8,13-17H2,1-6H3,(H,26,30)/p+1/t19-/m0/s1