N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-5-nitro-pyridin-2-amine

Systemtic Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-5-nitro-pyridin-2-amine Openeye Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-5-nitro-pyridin-2-amine CAS Name: N-[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]phenyl]-5-nitro-2-pyridinamine IUPAC Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-5-nitropyridin-2-amine Traditional Name: [4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-(5-nitro-2-pyridyl)amine Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC=C(C=C2)NC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC=C(C=C2)NC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O2/c1-14-3-2-10-21(12-14)13-15-4-6-16(7-5-15)20-18-9-8-17(11-19-18)22(23)24/h4-9,11,14H,2-3,10,12-13H2,1H3,(H,19,20)/p+1/t14-/m0/s1