(3S)-1-[(6-chloranylquinolin-2-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(6-chloranylquinolin-2-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(6-chloro-2-quinolyl)methyl]-N-ethyl-N-(4-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-[(6-chloro-2-quinolinyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(6-chloroquinolin-2-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-[(6-chloro-2-quinolyl)methyl]piperidin-1-ium-3-yl]-ethyl-(4-pyridylmethyl)amine Formula: C23H28ClN4+ MolecularWeight: 395.94822

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C2CCC[NH+](C2)CC3=NC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CCN(CC1=CC=NC=C1)[C@H]2CCC[NH+](C2)CC3=NC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C23H27ClN4/c1-2-28(15-18-9-11-25-12-10-18)22-4-3-13-27(17-22)16-21-7-5-19-14-20(24)6-8-23(19)26-21/h5-12,14,22H,2-4,13,15-17H2,1H3/p+1/t22-/m0/s1