4-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)C[NH+]3CCN(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)C[NH+]3CCN(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H28N4O2/c1-16-14-20(17(2)26(16)19-8-9-19)21(27)15-24-10-12-25(13-11-24)22(28)23-18-6-4-3-5-7-18/h3-7,14,19H,8-13,15H2,1-2H3,(H,23,28)/p+1