2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylphenyl)ethanamide

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-N-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(4-pyrrolidinophenyl)acetamide Formula: C21H29N5O+2 MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H27N5O/c27-21(23-18-6-8-19(9-7-18)25-11-3-4-12-25)17-24-13-15-26(16-14-24)20-5-1-2-10-22-20/h1-2,5-10H,3-4,11-17H2,(H,23,27)/p+2