methyl-[(3S)-1-phenethylpiperidin-3-yl]-[(2,3,4-trimethoxyphenyl)methyl]azanium

Systemtic Name: methyl-[(3S)-1-phenethylpiperidin-3-yl]-[(2,3,4-trimethoxyphenyl)methyl]azanium Openeye Name: methyl-[(3S)-1-phenethyl-3-piperidyl]-[(2,3,4-trimethoxyphenyl)methyl]ammonium CAS Name: methyl-[(3S)-1-phenethyl-3-piperidinyl]-[(2,3,4-trimethoxyphenyl)methyl]ammonium IUPAC Name: methyl-[(3S)-1-phenethylpiperidin-3-yl]-[(2,3,4-trimethoxyphenyl)methyl]azanium Traditional Name: methyl-[(3S)-1-phenethyl-3-piperidyl]-(2,3,4-trimethoxybenzyl)ammonium Formula: C24H35N2O3+ MolecularWeight: 399.5463

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C(=C(C=C1)OC)OC)OC)C2CCCN(C2)CCC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=C(C(=C(C=C1)OC)OC)OC)[C@H]2CCCN(C2)CCC3=CC=CC=C3

InChI

InChI=1S/C24H34N2O3/c1-25(17-20-12-13-22(27-2)24(29-4)23(20)28-3)21-11-8-15-26(18-21)16-14-19-9-6-5-7-10-19/h5-7,9-10,12-13,21H,8,11,14-18H2,1-4H3/p+1/t21-/m0/s1