4-azanyl-N-[2-[4-(1-oxidanidylpyridin-1-ium-4-yl)piperazin-1-yl]ethyl]benzamide

Systemtic Name: 4-azanyl-N-[2-[4-(1-oxidanidylpyridin-1-ium-4-yl)piperazin-1-yl]ethyl]benzamide Openeye Name: 4-amino-N-[2-[4-(1-oxidopyridin-1-ium-4-yl)piperazin-1-yl]ethyl]benzamide CAS Name: 4-amino-N-[2-[4-(1-oxido-4-pyridin-1-iumyl)-1-piperazinyl]ethyl]benzamide IUPAC Name: 4-amino-N-[2-[4-(1-oxidopyridin-1-ium-4-yl)piperazin-1-yl]ethyl]benzamide Traditional Name: 4-amino-N-[2-[4-(1-oxidopyridin-1-ium-4-yl)piperazino]ethyl]benzamide Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)N)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)N)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C18H23N5O2/c19-16-3-1-15(2-4-16)18(24)20-7-10-21-11-13-22(14-12-21)17-5-8-23(25)9-6-17/h1-6,8-9H,7,10-14,19H2,(H,20,24)