1-(2-methoxyphenyl)-4-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]piperazin-4-ium

Systemtic Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]piperazin-4-ium Openeye Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]piperazin-4-ium CAS Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]piperazin-4-ium Traditional Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]piperazin-4-ium Formula: C22H38N4O+2 MolecularWeight: 374.56332

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

C[NH+]1CCC(CC1)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C22H36N4O/c1-23-12-9-19(10-13-23)26-11-5-6-20(18-26)24-14-16-25(17-15-24)21-7-3-4-8-22(21)27-2/h3-4,7-8,19-20H,5-6,9-18H2,1-2H3/p+2/t20-/m0/s1