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

Systemtic Name: (4-methoxyphenyl)-[4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(3-benzyloxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone CAS Name: (4-methoxyphenyl)-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-methoxyphenyl)-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-(3-benzoxy-4-methoxy-benzyl)piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone Formula: C27H31N2O4+ MolecularWeight: 447.54604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4/c1-31-24-11-9-23(10-12-24)27(30)29-16-14-28(15-17-29)19-22-8-13-25(32-2)26(18-22)33-20-21-6-4-3-5-7-21/h3-13,18H,14-17,19-20H2,1-2H3/p+1