[4-[[6-[ethyl-(phenylmethyl)amino]pyridin-3-yl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[6-[ethyl-(phenylmethyl)amino]pyridin-3-yl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[[6-[benzyl(ethyl)amino]-3-pyridyl]amino]-4-oxo-butyl]ammonium CAS Name: [4-[[6-[ethyl-(phenylmethyl)amino]-3-pyridinyl]amino]-4-oxobutyl]ammonium IUPAC Name: [4-[[6-[benzyl(ethyl)amino]pyridin-3-yl]amino]-4-oxobutyl]azanium Traditional Name: [4-[[6-[benzyl(ethyl)amino]-3-pyridyl]amino]-4-keto-butyl]ammonium Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=NC=C(C=C2)NC(=O)CCC[NH3+]

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=NC=C(C=C2)NC(=O)CCC[NH3+]

InChI

InChI=1S/C18H24N4O/c1-2-22(14-15-7-4-3-5-8-15)17-11-10-16(13-20-17)21-18(23)9-6-12-19/h3-5,7-8,10-11,13H,2,6,9,12,14,19H2,1H3,(H,21,23)/p+1