(3S)-N-hexyl-1-(phenylmethyl)pyrrolidin-1-ium-3-amine

Systemtic Name: (3S)-N-hexyl-1-(phenylmethyl)pyrrolidin-1-ium-3-amine Openeye Name: (3S)-1-benzyl-N-hexyl-pyrrolidin-1-ium-3-amine CAS Name: (3S)-N-hexyl-1-(phenylmethyl)-3-pyrrolidin-1-iumamine IUPAC Name: (3S)-1-benzyl-N-hexylpyrrolidin-1-ium-3-amine Traditional Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-hexyl-amine Formula: C17H29N2+ MolecularWeight: 261.42556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1CC[NH+](C1)CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2/c1-2-3-4-8-12-18-17-11-13-19(15-17)14-16-9-6-5-7-10-16/h5-7,9-10,17-18H,2-4,8,11-15H2,1H3/p+1/t17-/m0/s1