[3-[(2,5-dimethylphenyl)-(pyridin-4-ylmethyl)amino]-3-oxidanylidene-propyl]azanium

Systemtic Name: [3-[(2,5-dimethylphenyl)-(pyridin-4-ylmethyl)amino]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[2,5-dimethyl-N-(4-pyridylmethyl)anilino]-3-oxo-propyl]ammonium CAS Name: [3-[2,5-dimethyl-N-(pyridin-4-ylmethyl)anilino]-3-oxopropyl]ammonium IUPAC Name: [3-[2,5-dimethyl-N-(pyridin-4-ylmethyl)anilino]-3-oxopropyl]azanium Traditional Name: [3-[2,5-dimethyl-N-(4-pyridylmethyl)anilino]-3-keto-propyl]ammonium Formula: C17H22N3O+ MolecularWeight: 284.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CC2=CC=NC=C2)C(=O)CC[NH3+]

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CC2=CC=NC=C2)C(=O)CC[NH3+]

InChI

InChI=1S/C17H21N3O/c1-13-3-4-14(2)16(11-13)20(17(21)5-8-18)12-15-6-9-19-10-7-15/h3-4,6-7,9-11H,5,8,12,18H2,1-2H3/p+1