1-[(2R)-2-(2,5-dimethylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium

Systemtic Name: 1-[(2R)-2-(2,5-dimethylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium Openeye Name: 1-[(2R)-2-(2,5-dimethylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium CAS Name: 1-[(2R)-2-(2,5-dimethylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]piperazin-4-ium IUPAC Name: 1-[(2R)-2-(2,5-dimethylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]piperazin-4-ium Traditional Name: 1-[(2R)-2-(2,5-dimethylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium Formula: C18H31N3+2 MolecularWeight: 289.45884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(CN2CC[NH2+]CC2)[NH+]3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)[C@H](CN2CC[NH2+]CC2)[NH+]3CCCC3

InChI

InChI=1S/C18H29N3/c1-15-5-6-16(2)17(13-15)18(21-9-3-4-10-21)14-20-11-7-19-8-12-20/h5-6,13,18-19H,3-4,7-12,14H2,1-2H3/p+2/t18-/m0/s1