methyl 1-cyclopropyl-4-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]ethanoyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: methyl 1-cyclopropyl-4-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]ethanoyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: methyl 1-cyclopropyl-4-[2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-cyclopropyl-4-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]-2,5-dimethyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-cyclopropyl-4-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]acetyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-cyclopropyl-4-[2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetyl]-2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C26H34N3O5S+ MolecularWeight: 500.63026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C2CC2)C)C(=O)OC)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=C(CCC5)C=C4

Isomeric SMILES

CC1=C(C(=C(N1C2CC2)C)C(=O)OC)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=C(CCC5)C=C4

InChI

InChI=1S/C26H33N3O5S/c1-17-24(25(26(31)34-3)18(2)29(17)21-8-9-21)23(30)16-27-11-13-28(14-12-27)35(32,33)22-10-7-19-5-4-6-20(19)15-22/h7,10,15,21H,4-6,8-9,11-14,16H2,1-3H3/p+1