N-(furan-2-ylmethyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide

Systemtic Name: N-(furan-2-ylmethyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Openeye Name: N-(2-furylmethyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide CAS Name: N-(2-furanylmethyl)-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]benzamide IUPAC Name: N-(furan-2-ylmethyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Traditional Name: N-(2-furfuryl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(=O)NCC3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(=O)NCC3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2/c27-23(24-17-22-7-4-16-28-22)20-10-8-19(9-11-20)18-25-12-14-26(15-13-25)21-5-2-1-3-6-21/h1-11,16H,12-15,17-18H2,(H,24,27)/p+1