(2-methoxy-5-methyl-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-methoxy-5-methyl-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(2-methoxy-5-methyl-phenyl)methanone CAS Name: (2-methoxy-5-methylphenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-methoxy-5-methylphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(2-methoxy-5-methyl-phenyl)methanone Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O2/c1-16-8-9-19(24-2)18(14-16)20(23)22-12-10-21(11-13-22)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3/p+1