[4-[[6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyridin-3-yl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyridin-3-yl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[[6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-3-pyridyl]amino]-4-oxo-butyl]ammonium CAS Name: [4-[[6-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-3-pyridinyl]amino]-4-oxobutyl]ammonium IUPAC Name: [4-[[6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyridin-3-yl]amino]-4-oxobutyl]azanium Traditional Name: [4-keto-4-[[6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-3-pyridyl]amino]butyl]ammonium Formula: C16H29N5O+2 MolecularWeight: 307.43436

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C2=NC=C(C=C2)NC(=O)CCC[NH3+]

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C2=NC=C(C=C2)NC(=O)CCC[NH3+]

InChI

InChI=1S/C16H27N5O/c1-20-10-7-14(8-11-20)21(2)15-6-5-13(12-18-15)19-16(22)4-3-9-17/h5-6,12,14H,3-4,7-11,17H2,1-2H3,(H,19,22)/p+2