N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]cyclopentanecarboxamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]cyclopentanecarboxamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]cyclopentanecarboxamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]cyclopentanecarboxamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]cyclopentanecarboxamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]cyclopentanecarboxamide Formula: C21H36N4O+2 MolecularWeight: 360.53674

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CNC(=O)C2CCCC2)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](CNC(=O)C2CCCC2)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H34N4O/c1-23(2)19-10-8-17(9-11-19)20(25-14-12-24(3)13-15-25)16-22-21(26)18-6-4-5-7-18/h8-11,18,20H,4-7,12-16H2,1-3H3,(H,22,26)/p+2/t20-/m1/s1