(3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-ium

Systemtic Name: (3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-ium Openeye Name: (3S)-3-(4-isopropyl-1H-pyrazol-5-yl)-1-[(E)-3-(2-methoxyphenyl)allyl]piperidin-1-ium CAS Name: (3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-ium IUPAC Name: (3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-ium Traditional Name: (3S)-3-(4-isopropyl-1H-pyrazol-5-yl)-1-[(E)-3-(2-methoxyphenyl)allyl]piperidin-1-ium Formula: C21H30N3O+ MolecularWeight: 340.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(NN=C1)C2CCC[NH+](C2)CC=CC3=CC=CC=C3OC

Isomeric SMILES

CC(C)C1=C(NN=C1)[C@H]2CCC[NH+](C2)C/C=C/C3=CC=CC=C3OC

InChI

InChI=1S/C21H29N3O/c1-16(2)19-14-22-23-21(19)18-10-7-13-24(15-18)12-6-9-17-8-4-5-11-20(17)25-3/h4-6,8-9,11,14,16,18H,7,10,12-13,15H2,1-3H3,(H,22,23)/p+1/b9-6+/t18-/m0/s1