2-methyl-4-(piperidin-1-ium-1-ylmethyl)aniline

Systemtic Name: 2-methyl-4-(piperidin-1-ium-1-ylmethyl)aniline Openeye Name: 2-methyl-4-(piperidin-1-ium-1-ylmethyl)aniline CAS Name: 2-methyl-4-(1-piperidin-1-iumylmethyl)aniline IUPAC Name: 2-methyl-4-(piperidin-1-ium-1-ylmethyl)aniline Traditional Name: [2-methyl-4-(piperidin-1-ium-1-ylmethyl)phenyl]amine Formula: C13H21N2+ MolecularWeight: 205.31924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCCCC2)N

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCCCC2)N

InChI

InChI=1S/C13H20N2/c1-11-9-12(5-6-13(11)14)10-15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,10,14H2,1H3/p+1