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

Systemtic Name: 1-(3-methoxyphenyl)-4-[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]piperidine Openeye Name: 1-(3-methoxyphenyl)-4-[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]piperidine CAS Name: 1-(3-methoxyphenyl)-4-[(3S)-3-(1-pyrrolidinyl)-1-piperidin-1-iumyl]piperidine IUPAC Name: 1-(3-methoxyphenyl)-4-[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]piperidine Traditional Name: 1-(3-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(=C1)N2CCC(CC2)[NH+]3CCCC(C3)N4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O/c1-25-21-8-4-6-19(16-21)23-14-9-18(10-15-23)24-13-5-7-20(17-24)22-11-2-3-12-22/h4,6,8,16,18,20H,2-3,5,7,9-15,17H2,1H3/p+1/t20-/m0/s1