N-[2-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]quinolin-6-yl]ethanamide

Systemtic Name: N-[2-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]quinolin-6-yl]ethanamide Openeye Name: N-[2-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]-6-quinolyl]acetamide CAS Name: N-[2-[[(3S)-3-(1-pyrrolidinyl)-1-piperidin-1-iumyl]methyl]-6-quinolinyl]acetamide IUPAC Name: N-[2-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]quinolin-6-yl]acetamide Traditional Name: N-[2-[[(3S)-3-pyrrolidinopiperidin-1-ium-1-yl]methyl]-6-quinolyl]acetamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(C=C2)C[NH+]3CCCC(C3)N4CCCC4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(C=C2)C[NH+]3CCC[C@@H](C3)N4CCCC4

InChI

InChI=1S/C21H28N4O/c1-16(26)22-18-8-9-21-17(13-18)6-7-19(23-21)14-24-10-4-5-20(15-24)25-11-2-3-12-25/h6-9,13,20H,2-5,10-12,14-15H2,1H3,(H,22,26)/p+1/t20-/m0/s1