[5-[(2-methylphenoxy)methyl]furan-2-yl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [5-[(2-methylphenoxy)methyl]furan-2-yl]-piperazin-4-ium-1-yl-methanone Openeye Name: [5-[(2-methylphenoxy)methyl]-2-furyl]-piperazin-4-ium-1-yl-methanone CAS Name: [5-[(2-methylphenoxy)methyl]-2-furanyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [5-[(2-methylphenoxy)methyl]furan-2-yl]-piperazin-4-ium-1-ylmethanone Traditional Name: [5-[(2-methylphenoxy)methyl]-2-furyl]-piperazin-4-ium-1-yl-methanone Formula: C17H21N2O3+ MolecularWeight: 301.36024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=CC=C(O2)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=CC=C1OCC2=CC=C(O2)C(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C17H20N2O3/c1-13-4-2-3-5-15(13)21-12-14-6-7-16(22-14)17(20)19-10-8-18-9-11-19/h2-7,18H,8-12H2,1H3/p+1