2-methyl-N-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methyl]aniline

Systemtic Name: 2-methyl-N-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methyl]aniline Openeye Name: 2-methyl-N-[[2-(1-piperidyl)quinolin-1-ium-3-yl]methyl]aniline CAS Name: 2-methyl-N-[[2-(1-piperidinyl)-3-quinolin-1-iumyl]methyl]aniline IUPAC Name: 2-methyl-N-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methyl]aniline Traditional Name: o-tolyl-[(2-piperidinoquinolin-1-ium-3-yl)methyl]amine Formula: C22H26N3+ MolecularWeight: 332.46194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCC2=CC3=CC=CC=C3[NH+]=C2N4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1NCC2=CC3=CC=CC=C3[NH+]=C2N4CCCCC4

InChI

InChI=1S/C22H25N3/c1-17-9-3-5-11-20(17)23-16-19-15-18-10-4-6-12-21(18)24-22(19)25-13-7-2-8-14-25/h3-6,9-12,15,23H,2,7-8,13-14,16H2,1H3/p+1