1-(1-methylpiperidin-2-yl)-1-propyl-indol-1-ium-3-carboxylate

Systemtic Name: 1-(1-methylpiperidin-2-yl)-1-propyl-indol-1-ium-3-carboxylate Openeye Name: 1-(1-methyl-2-piperidyl)-1-propyl-indol-1-ium-3-carboxylate CAS Name: 1-(1-methyl-2-piperidinyl)-1-propyl-3-indol-1-iumcarboxylate IUPAC Name: 1-(1-methylpiperidin-2-yl)-1-propylindol-1-ium-3-carboxylate Traditional Name: 1-(1-methyl-2-piperidyl)-1-propyl-indol-1-ium-3-carboxylate Formula: C18H24N2O2 MolecularWeight: 300.39536

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C=C(C2=CC=CC=C21)C(=O)[O-])C3CCCCN3C

Isomeric SMILES

CCC[N+]1(C=C(C2=CC=CC=C21)C(=O)[O-])C3CCCCN3C

InChI

InChI=1S/C18H24N2O2/c1-3-12-20(17-10-6-7-11-19(17)2)13-15(18(21)22)14-8-4-5-9-16(14)20/h4-5,8-9,13,17H,3,6-7,10-12H2,1-2H3