(3-methoxy-4-methyl-phenyl)-piperazin-4-ium-1-yl-methanone

Systemtic Name: (3-methoxy-4-methyl-phenyl)-piperazin-4-ium-1-yl-methanone Openeye Name: (3-methoxy-4-methyl-phenyl)-piperazin-4-ium-1-yl-methanone CAS Name: (3-methoxy-4-methylphenyl)-(1-piperazin-4-iumyl)methanone IUPAC Name: (3-methoxy-4-methylphenyl)-piperazin-4-ium-1-ylmethanone Traditional Name: (3-methoxy-4-methyl-phenyl)-piperazin-4-ium-1-yl-methanone Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH2+]CC2)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH2+]CC2)OC

InChI

InChI=1S/C13H18N2O2/c1-10-3-4-11(9-12(10)17-2)13(16)15-7-5-14-6-8-15/h3-4,9,14H,5-8H2,1-2H3/p+1