(2S)-2-(furan-2-yl)-N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine

Systemtic Name: (2S)-2-(furan-2-yl)-N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine Openeye Name: (2S)-2-(2-furyl)-N-(m-tolylmethyl)-2-pyrrolidin-1-ium-1-yl-ethanamine CAS Name: (2S)-2-(2-furanyl)-N-[(3-methylphenyl)methyl]-2-(1-pyrrolidin-1-iumyl)ethanamine IUPAC Name: (2S)-2-(furan-2-yl)-N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ium-1-ylethanamine Traditional Name: [(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-(3-methylbenzyl)amine Formula: C18H25N2O+ MolecularWeight: 285.4039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNCC(C2=CC=CO2)[NH+]3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)CNC[C@@H](C2=CC=CO2)[NH+]3CCCC3

InChI

InChI=1S/C18H24N2O/c1-15-6-4-7-16(12-15)13-19-14-17(18-8-5-11-21-18)20-9-2-3-10-20/h4-8,11-12,17,19H,2-3,9-10,13-14H2,1H3/p+1/t17-/m0/s1