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

Systemtic Name: [3-methoxy-4-(3-methylbutoxy)phenyl]-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-isopentyloxy-3-methoxy-phenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: [3-methoxy-4-(3-methylbutoxy)phenyl]-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [3-methoxy-4-(3-methylbutoxy)phenyl]-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-isoamoxy-3-methoxy-phenyl)-(4-p-anisylpiperazin-4-ium-1-yl)methanone Formula: C25H35N2O4+ MolecularWeight: 427.5564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC)OC

InChI

InChI=1S/C25H34N2O4/c1-19(2)11-16-31-23-10-7-21(17-24(23)30-4)25(28)27-14-12-26(13-15-27)18-20-5-8-22(29-3)9-6-20/h5-10,17,19H,11-16,18H2,1-4H3/p+1