N1-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]benzene-1,3-diamine chloride

Systemtic Name: N1-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]benzene-1,3-diamine chloride Openeye Name: N1-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]benzene-1,3-diamine chloride CAS Name: N1-methyl-4-[3-(1-methyl-1-piperidin-1-iumyl)propoxy]benzene-1,3-diamine chloride IUPAC Name: 1-N-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]benzene-1,3-diamine chloride Traditional Name: [3-amino-4-[3-(1-methylpiperidin-1-ium-1-yl)propoxy]phenyl]-methyl-amine chloride Formula: C16H28ClN3O MolecularWeight: 313.86602

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC(=C(C=C1)OCCC[N+]2(CCCCC2)C)N.[Cl-]

Isomeric SMILES

CNC1=CC(=C(C=C1)OCCC[N+]2(CCCCC2)C)N.[Cl-]

InChI

InChI=1S/C16H28N3O.ClH/c1-18-14-7-8-16(15(17)13-14)20-12-6-11-19(2)9-4-3-5-10-19;/h7-8,13,18H,3-6,9-12,17H2,1-2H3;1H/q+1;/p-1