[3-[(4-methylphenyl)methoxy]phenyl]methyl-(piperidin-1-ium-4-ylmethyl)azanium

Systemtic Name: [3-[(4-methylphenyl)methoxy]phenyl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: piperidin-1-ium-4-ylmethyl-[[3-(p-tolylmethoxy)phenyl]methyl]ammonium CAS Name: [3-[(4-methylphenyl)methoxy]phenyl]methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: [3-[(4-methylphenyl)methoxy]phenyl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: [3-(4-methylbenzyl)oxybenzyl]-(piperidin-1-ium-4-ylmethyl)ammonium Formula: C21H30N2O+2 MolecularWeight: 326.4757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=CC=CC(=C2)C[NH2+]CC3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=C(C=C1)COC2=CC=CC(=C2)C[NH2+]CC3CC[NH2+]CC3

InChI

InChI=1S/C21H28N2O/c1-17-5-7-19(8-6-17)16-24-21-4-2-3-20(13-21)15-23-14-18-9-11-22-12-10-18/h2-8,13,18,22-23H,9-12,14-16H2,1H3/p+2