N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C22H31N5O+2 MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C([NH+]=CC=C3)N4CCCC4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C([NH+]=CC=C3)N4CCCC4

InChI

InChI=1S/C22H29N5O/c1-2-25-14-16-26(17-15-25)19-9-7-18(8-10-19)24-22(28)20-6-5-11-23-21(20)27-12-3-4-13-27/h5-11H,2-4,12-17H2,1H3,(H,24,28)/p+2