(3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium

Systemtic Name: (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium Openeye Name: (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium CAS Name: (3S)-1-[(1-ethyl-4-pyrazolyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium IUPAC Name: (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium Traditional Name: (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium Formula: C20H30N3O+ MolecularWeight: 328.4717

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH+]2CCCC(C2)CCC3=CC(=CC=C3)OC

Isomeric SMILES

CCN1C=C(C=N1)C[NH+]2CCC[C@@H](C2)CCC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H29N3O/c1-3-23-16-19(13-21-23)15-22-11-5-7-18(14-22)10-9-17-6-4-8-20(12-17)24-2/h4,6,8,12-13,16,18H,3,5,7,9-11,14-15H2,1-2H3/p+1/t18-/m1/s1