(4-piperidin-1-ylphenyl)methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium

Systemtic Name: (4-piperidin-1-ylphenyl)methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium Openeye Name: [4-(1-piperidyl)phenyl]methyl-[(2,4,5-trimethoxyphenyl)methyl]ammonium CAS Name: [4-(1-piperidinyl)phenyl]methyl-[(2,4,5-trimethoxyphenyl)methyl]ammonium IUPAC Name: (4-piperidin-1-ylphenyl)methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium Traditional Name: (4-piperidinobenzyl)-(2,4,5-trimethoxybenzyl)ammonium Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH2+]CC2=CC=C(C=C2)N3CCCCC3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH2+]CC2=CC=C(C=C2)N3CCCCC3)OC)OC

InChI

InChI=1S/C22H30N2O3/c1-25-20-14-22(27-3)21(26-2)13-18(20)16-23-15-17-7-9-19(10-8-17)24-11-5-4-6-12-24/h7-10,13-14,23H,4-6,11-12,15-16H2,1-3H3/p+1