(3S)-N-[(2S)-5-methylhexan-2-yl]-1-(phenylmethyl)pyrrolidin-1-ium-3-amine

Systemtic Name: (3S)-N-[(2S)-5-methylhexan-2-yl]-1-(phenylmethyl)pyrrolidin-1-ium-3-amine Openeye Name: (3S)-1-benzyl-N-[(1S)-1,4-dimethylpentyl]pyrrolidin-1-ium-3-amine CAS Name: (3S)-N-[(2S)-5-methylhexan-2-yl]-1-(phenylmethyl)-3-pyrrolidin-1-iumamine IUPAC Name: (3S)-1-benzyl-N-[(2S)-5-methylhexan-2-yl]pyrrolidin-1-ium-3-amine Traditional Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-[(1S)-1,4-dimethylpentyl]amine Formula: C18H31N2+ MolecularWeight: 275.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC1CC[NH+](C1)CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2/c1-15(2)9-10-16(3)19-18-11-12-20(14-18)13-17-7-5-4-6-8-17/h4-8,15-16,18-19H,9-14H2,1-3H3/p+1/t16-,18-/m0/s1