2-[2-[4-phenyl-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethylamino]benzamide

Systemtic Name: 2-[2-[4-phenyl-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethylamino]benzamide Openeye Name: 2-[2-[4-phenyl-4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethylamino]benzamide CAS Name: 2-[2-[4-phenyl-4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethylamino]benzamide IUPAC Name: 2-[2-[4-phenyl-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethylamino]benzamide Traditional Name: 2-[2-[4-phenyl-4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethylamino]benzamide Formula: C25H30N5O+ MolecularWeight: 416.5386

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1CCNC2=CC=CC=C2C(=O)N)(CC3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[N+](CCN1CCNC2=CC=CC=C2C(=O)N)(CC3=CC=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H29N5O/c26-25(31)23-8-4-5-9-24(23)28-14-15-29-16-18-30(19-17-29,22-6-2-1-3-7-22)20-21-10-12-27-13-11-21/h1-13H,14-20H2,(H2-,26,28,31)/p+1