6-chloranyl-4-phenyl-3-(piperidin-1-ium-1-ylmethyl)quinolin-1-ium-2-amine

Systemtic Name: 6-chloranyl-4-phenyl-3-(piperidin-1-ium-1-ylmethyl)quinolin-1-ium-2-amine Openeye Name: 6-chloro-4-phenyl-3-(piperidin-1-ium-1-ylmethyl)quinolin-1-ium-2-amine CAS Name: 6-chloro-4-phenyl-3-(1-piperidin-1-iumylmethyl)-2-quinolin-1-iumamine IUPAC Name: 6-chloro-4-phenyl-3-(piperidin-1-ium-1-ylmethyl)quinolin-1-ium-2-amine Traditional Name: [6-chloro-4-phenyl-3-(piperidin-1-ium-1-ylmethyl)quinolin-1-ium-2-yl]amine Formula: C21H24ClN3+2 MolecularWeight: 353.88836

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C([NH+]=C3C=CC(=CC3=C2C4=CC=CC=C4)Cl)N

Isomeric SMILES

C1CC[NH+](CC1)CC2=C([NH+]=C3C=CC(=CC3=C2C4=CC=CC=C4)Cl)N

InChI

InChI=1S/C21H22ClN3/c22-16-9-10-19-17(13-16)20(15-7-3-1-4-8-15)18(21(23)24-19)14-25-11-5-2-6-12-25/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H2,23,24)/p+2