(5,6-dimethyl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-[(3S)-2-oxidanylideneazepan-3-yl]azanium

Systemtic Name: (5,6-dimethyl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-[(3S)-2-oxidanylideneazepan-3-yl]azanium Openeye Name: (5,6-dimethyl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: [5,6-dimethyl-2-(1-pyrrolidinyl)-4-pyrimidinyl]-[(3S)-2-oxo-3-azepanyl]ammonium IUPAC Name: (5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-[(3S)-2-oxoazepan-3-yl]azanium Traditional Name: (5,6-dimethyl-2-pyrrolidino-pyrimidin-4-yl)-[(3S)-2-ketoazepan-3-yl]ammonium Formula: C16H26N5O+ MolecularWeight: 304.41054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1[NH2+]C2CCCCNC2=O)N3CCCC3)C

Isomeric SMILES

CC1=C(N=C(N=C1[NH2+][C@H]2CCCCNC2=O)N3CCCC3)C

InChI

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