2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-(1-propylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-(1-propylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(6-methyl-2-pyridyl)methyl]-4-(1-propyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-(1-propyl-4-piperidinyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-(1-propylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-[(6-methyl-2-pyridyl)methyl]-4-(1-propyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol Formula: C21H37N4O+ MolecularWeight: 361.54468

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)[NH+]2CCN(C(C2)CCO)CC3=CC=CC(=N3)C

Isomeric SMILES

CCCN1CCC(CC1)[NH+]2CCN([C@H](C2)CCO)CC3=CC=CC(=N3)C

InChI

InChI=1S/C21H36N4O/c1-3-10-23-11-7-20(8-12-23)25-14-13-24(21(17-25)9-15-26)16-19-6-4-5-18(2)22-19/h4-6,20-21,26H,3,7-17H2,1-2H3/p+1/t21-/m0/s1