[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylfuran-2-yl]methylazanium

Systemtic Name: [5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylfuran-2-yl]methylazanium Openeye Name: [5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-furyl]methylammonium CAS Name: [5-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-2-furanyl]methylammonium IUPAC Name: [5-(4-benzylpiperazin-4-ium-1-carbonyl)furan-2-yl]methylazanium Traditional Name: [5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-furyl]methylammonium Formula: C17H23N3O2+2 MolecularWeight: 301.38342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(O3)C[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(O3)C[NH3+]

InChI

InChI=1S/C17H21N3O2/c18-12-15-6-7-16(22-15)17(21)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7H,8-13,18H2/p+2