2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(3-pyridylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(3-pyridinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methoxy-3-methyl-benzyl)-4-(3-pyridylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CC[NH+](CC2CCO)CC3=CN=CC=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CN=CC=C3)OC

InChI

InChI=1S/C21H29N3O2/c1-17-12-18(5-6-21(17)26-2)15-24-10-9-23(16-20(24)7-11-25)14-19-4-3-8-22-13-19/h3-6,8,12-13,20,25H,7,9-11,14-16H2,1-2H3/p+1/t20-/m0/s1