1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-4-carboxamide Openeye Name: 1-indan-5-ylsulfonyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-4-carboxamide CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-4-carboxamide Traditional Name: 1-indan-5-ylsulfonyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]isonipecotamide Formula: C26H35N4O3S+ MolecularWeight: 483.6461

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(CCC5)C=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(CCC5)C=C4

InChI

InChI=1S/C26H34N4O3S/c1-28-15-17-29(18-16-28)24-8-6-23(7-9-24)27-26(31)21-11-13-30(14-12-21)34(32,33)25-10-5-20-3-2-4-22(20)19-25/h5-10,19,21H,2-4,11-18H2,1H3,(H,27,31)/p+1