1-[(2R)-2-(3,4-dimethylphenyl)-2-piperidin-1-ium-1-yl-ethyl]piperazin-4-ium

Systemtic Name: 1-[(2R)-2-(3,4-dimethylphenyl)-2-piperidin-1-ium-1-yl-ethyl]piperazin-4-ium Openeye Name: 1-[(2R)-2-(3,4-dimethylphenyl)-2-piperidin-1-ium-1-yl-ethyl]piperazin-4-ium CAS Name: 1-[(2R)-2-(3,4-dimethylphenyl)-2-(1-piperidin-1-iumyl)ethyl]piperazin-4-ium IUPAC Name: 1-[(2R)-2-(3,4-dimethylphenyl)-2-piperidin-1-ium-1-ylethyl]piperazin-4-ium Traditional Name: 1-[(2R)-2-(3,4-dimethylphenyl)-2-piperidin-1-ium-1-yl-ethyl]piperazin-4-ium Formula: C19H33N3+2 MolecularWeight: 303.48542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CN2CC[NH2+]CC2)[NH+]3CCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](CN2CC[NH2+]CC2)[NH+]3CCCCC3)C

InChI

InChI=1S/C19H31N3/c1-16-6-7-18(14-17(16)2)19(22-10-4-3-5-11-22)15-21-12-8-20-9-13-21/h6-7,14,19-20H,3-5,8-13,15H2,1-2H3/p+2/t19-/m0/s1