(3-methoxy-4-phenylmethoxy-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-methoxy-4-phenylmethoxy-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzyloxy-3-methoxy-phenyl)-(4-benzylpiperazin-4-ium-1-yl)methanone CAS Name: (3-methoxy-4-phenylmethoxyphenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-methoxy-4-phenylmethoxyphenyl)methanone Traditional Name: (4-benzoxy-3-methoxy-phenyl)-(4-benzylpiperazin-4-ium-1-yl)methanone Formula: C26H29N2O3+ MolecularWeight: 417.52006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3/c1-30-25-18-23(12-13-24(25)31-20-22-10-6-3-7-11-22)26(29)28-16-14-27(15-17-28)19-21-8-4-2-5-9-21/h2-13,18H,14-17,19-20H2,1H3/p+1