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

Systemtic Name: (4-methoxy-2-oxidanyl-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(2-hydroxy-4-methoxy-phenyl)methanone CAS Name: (2-hydroxy-4-methoxyphenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(2-hydroxy-4-methoxy-phenyl)methanone Formula: C19H23N2O3+ MolecularWeight: 327.39752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)O

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C19H22N2O3/c1-24-16-7-8-17(18(22)13-16)19(23)21-11-9-20(10-12-21)14-15-5-3-2-4-6-15/h2-8,13,22H,9-12,14H2,1H3/p+1