(2S,6S)-2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)piperazin-1-ium

Systemtic Name: (2S,6S)-2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)piperazin-1-ium Openeye Name: (2S,6S)-2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)piperazin-1-ium CAS Name: (2S,6S)-2,6-dimethyl-1-[4-(1-pyrrolidinyl)phenyl]piperazin-1-ium IUPAC Name: (2S,6S)-2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)piperazin-1-ium Traditional Name: (2S,6S)-2,6-dimethyl-1-(4-pyrrolidinophenyl)piperazin-1-ium Formula: C16H26N3+ MolecularWeight: 260.39774

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCC([NH+]1C2=CC=C(C=C2)N3CCCC3)C

Isomeric SMILES

C[C@H]1CNC[C@@H]([NH+]1C2=CC=C(C=C2)N3CCCC3)C

InChI

InChI=1S/C16H25N3/c1-13-11-17-12-14(2)19(13)16-7-5-15(6-8-16)18-9-3-4-10-18/h5-8,13-14,17H,3-4,9-12H2,1-2H3/p+1/t13-,14-/m0/s1