1-(4-nitrophenyl)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]cyclopentane-1-carboxamide

Systemtic Name: 1-(4-nitrophenyl)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]cyclopentane-1-carboxamide Openeye Name: 1-(4-nitrophenyl)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]cyclopentanecarboxamide CAS Name: 1-(4-nitrophenyl)-N-[4-(1-piperidin-1-iumylmethyl)phenyl]-1-cyclopentanecarboxamide IUPAC Name: 1-(4-nitrophenyl)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]cyclopentane-1-carboxamide Traditional Name: 1-(4-nitrophenyl)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]cyclopentanecarboxamide Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=O)C3(CCCC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=O)C3(CCCC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H29N3O3/c28-23(24(14-2-3-15-24)20-8-12-22(13-9-20)27(29)30)25-21-10-6-19(7-11-21)18-26-16-4-1-5-17-26/h6-13H,1-5,14-18H2,(H,25,28)/p+1