1-[4-[2-[(2S)-butan-2-yl]phenoxy]butyl]pyrrolidin-1-ium

Systemtic Name: 1-[4-[2-[(2S)-butan-2-yl]phenoxy]butyl]pyrrolidin-1-ium Openeye Name: 1-[4-[2-[(1S)-1-methylpropyl]phenoxy]butyl]pyrrolidin-1-ium CAS Name: 1-[4-[2-[(2S)-butan-2-yl]phenoxy]butyl]pyrrolidin-1-ium IUPAC Name: 1-[4-[2-[(2S)-butan-2-yl]phenoxy]butyl]pyrrolidin-1-ium Traditional Name: 1-[4-[2-[(1S)-1-methylpropyl]phenoxy]butyl]pyrrolidin-1-ium Formula: C18H30NO+ MolecularWeight: 276.4369

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCCCC[NH+]2CCCC2

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OCCCC[NH+]2CCCC2

InChI

InChI=1S/C18H29NO/c1-3-16(2)17-10-4-5-11-18(17)20-15-9-8-14-19-12-6-7-13-19/h4-5,10-11,16H,3,6-9,12-15H2,1-2H3/p+1/t16-/m0/s1