[1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone

Systemtic Name: [1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone Openeye Name: [1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-yl]-[(3S)-3-methyl-1-piperidyl]methanone CAS Name: [1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]-[(3S)-3-methyl-1-piperidinyl]methanone IUPAC Name: [1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone Traditional Name: [1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-yl]-[(3S)-3-methylpiperidino]methanone Formula: C22H33N2O+ MolecularWeight: 341.51022

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2CC[NH+](CC2)CC(=CC3=CC=CC=C3)C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C2CC[NH+](CC2)C/C(=C/C3=CC=CC=C3)/C

InChI

InChI=1S/C22H32N2O/c1-18-7-6-12-24(17-18)22(25)21-10-13-23(14-11-21)16-19(2)15-20-8-4-3-5-9-20/h3-5,8-9,15,18,21H,6-7,10-14,16-17H2,1-2H3/p+1/b19-15+/t18-/m0/s1