1-heptyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium

Systemtic Name: 1-heptyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium Openeye Name: 1-heptyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium CAS Name: 1-heptyl-3-[(2S)-1-methyl-2-pyrrolidinyl]pyridin-1-ium IUPAC Name: 1-heptyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium Traditional Name: 1-heptyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium Formula: C17H29N2+ MolecularWeight: 261.42556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=CC=CC(=C1)C2CCCN2C

Isomeric SMILES

CCCCCCC[N+]1=CC=CC(=C1)[C@@H]2CCCN2C

InChI

InChI=1S/C17H29N2/c1-3-4-5-6-7-13-19-14-8-10-16(15-19)17-11-9-12-18(17)2/h8,10,14-15,17H,3-7,9,11-13H2,1-2H3/q+1/t17-/m0/s1