2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-pyrazin-2-ylcarbonylpiperidin-3-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-pyrazin-2-ylcarbonylpiperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(pyrazine-2-carbonyl)-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[oxo(2-pyrazinyl)methyl]-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-pyrazinoyl-3-piperidyl]ammonium Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)C3=NC=CN=C3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C21H28N4O3/c1-24(12-8-16-6-7-19(27-2)20(13-16)28-3)17-5-4-11-25(15-17)21(26)18-14-22-9-10-23-18/h6-7,9-10,13-14,17H,4-5,8,11-12,15H2,1-3H3/p+1/t17-/m0/s1