2-[4-[2-[(4-cyanophenyl)amino]ethylamino]-1-ethyl-piperidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-[(4-cyanophenyl)amino]ethylamino]-1-ethyl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(4-cyanoanilino)ethylamino]-1-ethyl-piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[4-[2-(4-cyanoanilino)ethylamino]-1-ethyl-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[4-[2-(4-cyanoanilino)ethylamino]-1-ethylpiperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[4-[2-(4-cyanoanilino)ethylamino]-1-ethyl-piperidin-1-ium-1-yl]acetic acid Formula: C18H27N4O2+ MolecularWeight: 331.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(CC1)NCCNC2=CC=C(C=C2)C#N)CC(=O)O

Isomeric SMILES

CC[N+]1(CCC(CC1)NCCNC2=CC=C(C=C2)C#N)CC(=O)O

InChI

InChI=1S/C18H26N4O2/c1-2-22(14-18(23)24)11-7-17(8-12-22)21-10-9-20-16-5-3-15(13-19)4-6-16/h3-6,17,20-21H,2,7-12,14H2,1H3/p+1