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

Systemtic Name: 1-(4-methylphenyl)-4-[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]piperidine Openeye Name: 1-(p-tolyl)-4-[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]piperidine CAS Name: 1-(4-methylphenyl)-4-[(3S)-3-(1-pyrrolidinyl)-1-piperidin-1-iumyl]piperidine IUPAC Name: 1-(4-methylphenyl)-4-[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]piperidine Traditional Name: 1-(p-tolyl)-4-[(3S)-3-pyrrolidinopiperidin-1-ium-1-yl]piperidine Formula: C21H34N3+ MolecularWeight: 328.51476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCC(CC2)[NH+]3CCCC(C3)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2CCC(CC2)[NH+]3CCC[C@@H](C3)N4CCCC4

InChI

InChI=1S/C21H33N3/c1-18-6-8-19(9-7-18)23-15-10-20(11-16-23)24-14-4-5-21(17-24)22-12-2-3-13-22/h6-9,20-21H,2-5,10-17H2,1H3/p+1/t21-/m0/s1