[(3S)-1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-1-ium-3-yl]methylazanium

Systemtic Name: [(3S)-1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-1-ium-3-yl]methylazanium Openeye Name: [(3S)-1-[1-[4-(p-tolyl)phenyl]-4-piperidyl]pyrrolidin-1-ium-3-yl]methylammonium CAS Name: [(3S)-1-[1-[4-(4-methylphenyl)phenyl]-4-piperidinyl]-3-pyrrolidin-1-iumyl]methylammonium IUPAC Name: [(3S)-1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-1-ium-3-yl]methylazanium Traditional Name: [(3S)-1-[1-[4-(p-tolyl)phenyl]-4-piperidyl]pyrrolidin-1-ium-3-yl]methylammonium Formula: C23H33N3+2 MolecularWeight: 351.52822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)N3CCC(CC3)[NH+]4CCC(C4)C[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)N3CCC(CC3)[NH+]4CC[C@H](C4)C[NH3+]

InChI

InChI=1S/C23H31N3/c1-18-2-4-20(5-3-18)21-6-8-22(9-7-21)25-14-11-23(12-15-25)26-13-10-19(16-24)17-26/h2-9,19,23H,10-17,24H2,1H3/p+2/t19-/m0/s1