N-[(3S)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-1-ium-3-yl]ethanamide

Systemtic Name: N-[(3S)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-1-ium-3-yl]ethanamide Openeye Name: N-[(3S)-1-[1-[3-(2-furyl)phenyl]-4-piperidyl]pyrrolidin-1-ium-3-yl]acetamide CAS Name: N-[(3S)-1-[1-[3-(2-furanyl)phenyl]-4-piperidinyl]-3-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[(3S)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-1-ium-3-yl]acetamide Traditional Name: N-[(3S)-1-[1-[3-(2-furyl)phenyl]-4-piperidyl]pyrrolidin-1-ium-3-yl]acetamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CC[NH+](C1)C2CCN(CC2)C3=CC=CC(=C3)C4=CC=CO4

Isomeric SMILES

CC(=O)N[C@H]1CC[NH+](C1)C2CCN(CC2)C3=CC=CC(=C3)C4=CC=CO4

InChI

InChI=1S/C21H27N3O2/c1-16(25)22-18-7-10-24(15-18)19-8-11-23(12-9-19)20-5-2-4-17(14-20)21-6-3-13-26-21/h2-6,13-14,18-19H,7-12,15H2,1H3,(H,22,25)/p+1/t18-/m0/s1