[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl-(2-methylpropyl)-(1-propylpiperidin-4-yl)azanium

Systemtic Name: [1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl-(2-methylpropyl)-(1-propylpiperidin-4-yl)azanium Openeye Name: isobutyl-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-(1-propyl-4-piperidyl)ammonium CAS Name: [1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]methyl-(2-methylpropyl)-(1-propyl-4-piperidinyl)ammonium IUPAC Name: [1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl-(2-methylpropyl)-(1-propylpiperidin-4-yl)azanium Traditional Name: isobutyl-[(1-o-anisylpiperidin-1-ium-4-yl)methyl]-(1-propyl-4-piperidyl)ammonium Formula: C26H47N3O+2 MolecularWeight: 417.67088

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)[NH+](CC2CC[NH+](CC2)CC3=CC=CC=C3OC)CC(C)C

Isomeric SMILES

CCCN1CCC(CC1)[NH+](CC2CC[NH+](CC2)CC3=CC=CC=C3OC)CC(C)C

InChI

InChI=1S/C26H45N3O/c1-5-14-27-17-12-25(13-18-27)29(19-22(2)3)20-23-10-15-28(16-11-23)21-24-8-6-7-9-26(24)30-4/h6-9,22-23,25H,5,10-21H2,1-4H3/p+2