2-[1-[1-(diethylamino)propyl]-5-phenyl-pyrazol-1-ium-1-yl]ethanamide hydrochloride

Systemtic Name: 2-[1-[1-(diethylamino)propyl]-5-phenyl-pyrazol-1-ium-1-yl]ethanamide hydrochloride Openeye Name: 2-[1-[1-(diethylamino)propyl]-5-phenyl-pyrazol-1-ium-1-yl]acetamide hydrochloride CAS Name: 2-[1-[1-(diethylamino)propyl]-5-phenyl-1-pyrazol-1-iumyl]acetamide hydrochloride IUPAC Name: 2-[1-[1-(diethylamino)propyl]-5-phenylpyrazol-1-ium-1-yl]acetamide hydrochloride Traditional Name: 2-[1-[1-(diethylamino)propyl]-5-phenyl-pyrazol-1-ium-1-yl]acetamide hydrochloride Formula: C18H28ClN4O+ MolecularWeight: 351.89412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N(CC)CC)[N+]1(C(=CC=N1)C2=CC=CC=C2)CC(=O)N.Cl

Isomeric SMILES

CCC(N(CC)CC)[N+]1(C(=CC=N1)C2=CC=CC=C2)CC(=O)N.Cl

InChI

InChI=1S/C18H26N4O.ClH/c1-4-18(21(5-2)6-3)22(14-17(19)23)16(12-13-20-22)15-10-8-7-9-11-15;/h7-13,18H,4-6,14H2,1-3H3,(H-,19,23);1H/p+1