N-(4-dimethylaminophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(4-dimethylaminophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(4-dimethylaminophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(4-dimethylaminophenyl)-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-dimethylaminophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(4-dimethylaminophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C20H29N5O+2 MolecularWeight: 355.47716

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H27N5O/c1-23(2)18-8-6-17(7-9-18)22-20(26)10-12-24-13-15-25(16-14-24)19-5-3-4-11-21-19/h3-9,11H,10,12-16H2,1-2H3,(H,22,26)/p+2