(3S)-1-(5,6-dimethyl-2-pyrrolidin-1-yl-pyrimidin-3-ium-4-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(5,6-dimethyl-2-pyrrolidin-1-yl-pyrimidin-3-ium-4-yl)piperidine-3-carboxamide Openeye Name: (3S)-1-(5,6-dimethyl-2-pyrrolidin-1-yl-pyrimidin-3-ium-4-yl)piperidine-3-carboxamide CAS Name: (3S)-1-[5,6-dimethyl-2-(1-pyrrolidinyl)-4-pyrimidin-3-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-3-ium-4-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-(5,6-dimethyl-2-pyrrolidino-pyrimidin-3-ium-4-yl)nipecotamide Formula: C16H26N5O+ MolecularWeight: 304.41054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C([NH+]=C1N2CCCC(C2)C(=O)N)N3CCCC3)C

Isomeric SMILES

CC1=C(N=C([NH+]=C1N2CCC[C@@H](C2)C(=O)N)N3CCCC3)C

InChI

InChI=1S/C16H25N5O/c1-11-12(2)18-16(20-7-3-4-8-20)19-15(11)21-9-5-6-13(10-21)14(17)22/h13H,3-10H2,1-2H3,(H2,17,22)/p+1/t13-/m0/s1