N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-3-pyrazin-2-yl-propanamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-3-pyrazin-2-yl-propanamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-3-pyrazin-2-yl-propanamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-N-methyl-3-(2-pyrazinyl)propanamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-3-pyrazin-2-ylpropanamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-3-pyrazin-2-yl-propionamide Formula: C22H29N4O+ MolecularWeight: 365.49186

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)CCC4=NC=CN=C4

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)CCC4=NC=CN=C4

InChI

InChI=1S/C22H28N4O/c1-25(22(27)9-8-19-15-23-10-11-24-19)20-7-4-12-26(16-20)21-13-17-5-2-3-6-18(17)14-21/h2-3,5-6,10-11,15,20-21H,4,7-9,12-14,16H2,1H3/p+1/t20-/m0/s1