1-(4-methoxyphenyl)-4-[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]piperidine

Systemtic Name: 1-(4-methoxyphenyl)-4-[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]piperidine Openeye Name: 1-(4-methoxyphenyl)-4-[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]piperidine CAS Name: 1-(4-methoxyphenyl)-4-[(3S)-3-(1-pyrrolidinyl)-1-piperidin-1-iumyl]piperidine IUPAC Name: 1-(4-methoxyphenyl)-4-[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]piperidine Traditional Name: 1-(4-methoxyphenyl)-4-[(3S)-3-pyrrolidinopiperidin-1-ium-1-yl]piperidine Formula: C21H34N3O+ MolecularWeight: 344.51416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCC(CC2)[NH+]3CCCC(C3)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCC(CC2)[NH+]3CCC[C@@H](C3)N4CCCC4

InChI

InChI=1S/C21H33N3O/c1-25-21-8-6-18(7-9-21)23-15-10-19(11-16-23)24-14-4-5-20(17-24)22-12-2-3-13-22/h6-9,19-20H,2-5,10-17H2,1H3/p+1/t20-/m0/s1