(3S)-1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrrolidin-1-yl-piperidin-1-ium

Systemtic Name: (3S)-1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrrolidin-1-yl-piperidin-1-ium Openeye Name: (3S)-1-[[2-(5-methyl-2-furyl)phenyl]methyl]-3-pyrrolidin-1-yl-piperidin-1-ium CAS Name: (3S)-1-[[2-(5-methyl-2-furanyl)phenyl]methyl]-3-(1-pyrrolidinyl)piperidin-1-ium IUPAC Name: (3S)-1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrrolidin-1-ylpiperidin-1-ium Traditional Name: (3S)-1-[2-(5-methyl-2-furyl)benzyl]-3-pyrrolidino-piperidin-1-ium Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=CC=CC=C2C[NH+]3CCCC(C3)N4CCCC4

Isomeric SMILES

CC1=CC=C(O1)C2=CC=CC=C2C[NH+]3CCC[C@@H](C3)N4CCCC4

InChI

InChI=1S/C21H28N2O/c1-17-10-11-21(24-17)20-9-3-2-7-18(20)15-22-12-6-8-19(16-22)23-13-4-5-14-23/h2-3,7,9-11,19H,4-6,8,12-16H2,1H3/p+1/t19-/m0/s1