(3S)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-(phenylmethyl)pyrrolidin-1-ium-3-amine

Systemtic Name: (3S)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-(phenylmethyl)pyrrolidin-1-ium-3-amine Openeye Name: (3S)-1-benzyl-N-[(7-methoxybenzofuran-2-yl)methyl]pyrrolidin-1-ium-3-amine CAS Name: (3S)-N-[(7-methoxy-2-benzofuranyl)methyl]-1-(phenylmethyl)-3-pyrrolidin-1-iumamine IUPAC Name: (3S)-1-benzyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]pyrrolidin-1-ium-3-amine Traditional Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-[(7-methoxybenzofuran-2-yl)methyl]amine Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)CNC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)CN[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N2O2/c1-24-20-9-5-8-17-12-19(25-21(17)20)13-22-18-10-11-23(15-18)14-16-6-3-2-4-7-16/h2-9,12,18,22H,10-11,13-15H2,1H3/p+1/t18-/m0/s1