1-(2-methoxyphenyl)-4-[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]piperidine

Systemtic Name: 1-(2-methoxyphenyl)-4-[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]piperidine Openeye Name: 1-(2-methoxyphenyl)-4-[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]piperidine CAS Name: 1-(2-methoxyphenyl)-4-[(3S)-3-(1-pyrrolidinyl)-1-piperidin-1-iumyl]piperidine IUPAC Name: 1-(2-methoxyphenyl)-4-[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]piperidine Traditional Name: 1-(2-methoxyphenyl)-4-[(3S)-3-pyrrolidinopiperidin-1-ium-1-yl]piperidine Formula: C21H34N3O+ MolecularWeight: 344.51416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCC(CC2)[NH+]3CCCC(C3)N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CCC(CC2)[NH+]3CCC[C@@H](C3)N4CCCC4

InChI

InChI=1S/C21H33N3O/c1-25-21-9-3-2-8-20(21)23-15-10-18(11-16-23)24-14-6-7-19(17-24)22-12-4-5-13-22/h2-3,8-9,18-19H,4-7,10-17H2,1H3/p+1/t19-/m0/s1