(3S)-N-[3-(2-methylpropoxy)propyl]-1-(phenylmethyl)pyrrolidin-1-ium-3-amine

Systemtic Name: (3S)-N-[3-(2-methylpropoxy)propyl]-1-(phenylmethyl)pyrrolidin-1-ium-3-amine Openeye Name: (3S)-1-benzyl-N-(3-isobutoxypropyl)pyrrolidin-1-ium-3-amine CAS Name: (3S)-N-[3-(2-methylpropoxy)propyl]-1-(phenylmethyl)-3-pyrrolidin-1-iumamine IUPAC Name: (3S)-1-benzyl-N-[3-(2-methylpropoxy)propyl]pyrrolidin-1-ium-3-amine Traditional Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-(3-isobutoxypropyl)amine Formula: C18H31N2O+ MolecularWeight: 291.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCCCNC1CC[NH+](C1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)COCCCN[C@H]1CC[NH+](C1)CC2=CC=CC=C2

InChI

InChI=1S/C18H30N2O/c1-16(2)15-21-12-6-10-19-18-9-11-20(14-18)13-17-7-4-3-5-8-17/h3-5,7-8,16,18-19H,6,9-15H2,1-2H3/p+1/t18-/m0/s1