N-(2-aminocarbonylphenyl)-2-piperazin-4-ium-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(2-aminocarbonylphenyl)-2-piperazin-4-ium-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-(2-carbamoylphenyl)-2-piperazin-4-ium-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-(2-carbamoylphenyl)-2-(1-piperazin-4-iumyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-(2-carbamoylphenyl)-2-piperazin-4-ium-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-(2-carbamoylphenyl)-2-piperazin-4-ium-1-yl-pyridin-1-ium-3-carboxamide Formula: C17H21N5O2+2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(C=CC=[NH+]2)C(=O)NC3=CC=CC=C3C(=O)N

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(C=CC=[NH+]2)C(=O)NC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C17H19N5O2/c18-15(23)12-4-1-2-6-14(12)21-17(24)13-5-3-7-20-16(13)22-10-8-19-9-11-22/h1-7,19H,8-11H2,(H2,18,23)(H,21,24)/p+2