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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1C[NH+]2CCCC(C2)CCC3=CC(=CC=C3)OC

Isomeric SMILES

CCN1C=CN=C1C[NH+]2CCC[C@@H](C2)CCC3=CC(=CC=C3)OC

InChI

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