(2S)-2-[(3-methoxyphenyl)methyl]-4-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]morpholin-4-ium

Systemtic Name: (2S)-2-[(3-methoxyphenyl)methyl]-4-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]morpholin-4-ium Openeye Name: (2S)-4-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholin-4-ium CAS Name: (2S)-2-[(3-methoxyphenyl)methyl]-4-[(3-methyl-1-prop-2-enyl-4-pyrazolyl)methyl]morpholin-4-ium IUPAC Name: (2S)-2-[(3-methoxyphenyl)methyl]-4-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]morpholin-4-ium Traditional Name: (2S)-4-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-2-m-anisyl-morpholin-4-ium Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCOC(C2)CC3=CC(=CC=C3)OC)CC=C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCO[C@H](C2)CC3=CC(=CC=C3)OC)CC=C

InChI

InChI=1S/C20H27N3O2/c1-4-8-23-14-18(16(2)21-23)13-22-9-10-25-20(15-22)12-17-6-5-7-19(11-17)24-3/h4-7,11,14,20H,1,8-10,12-13,15H2,2-3H3/p+1/t20-/m0/s1