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

Systemtic Name: (2S)-2-ethyl-1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: (2S)-2-ethyl-1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: (2S)-2-ethyl-1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: (2S)-2-ethyl-1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: (2S)-2-ethyl-1-methyl-4-(2,3,4-trimethoxybenzyl)piperazin-1-ium Formula: C17H29N2O3+ MolecularWeight: 309.42376

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC[NH+]1C)CC2=C(C(=C(C=C2)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O3/c1-6-14-12-19(10-9-18(14)2)11-13-7-8-15(20-3)17(22-5)16(13)21-4/h7-8,14H,6,9-12H2,1-5H3/p+1/t14-/m0/s1