(2S)-2-methyl-4-phenyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: (2S)-2-methyl-4-phenyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: (2S)-2-methyl-4-phenyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: (2S)-2-methyl-4-phenyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: (2S)-2-methyl-4-phenyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: (2S)-2-methyl-4-phenyl-1-(2,3,4-trimethoxybenzyl)piperazin-1-ium Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH+]1CC2=C(C(=C(C=C2)OC)OC)OC)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CN(CC[NH+]1CC2=C(C(=C(C=C2)OC)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H28N2O3/c1-16-14-23(18-8-6-5-7-9-18)13-12-22(16)15-17-10-11-19(24-2)21(26-4)20(17)25-3/h5-11,16H,12-15H2,1-4H3/p+1/t16-/m0/s1