2-azanyl-N-[(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]pyridin-1-ium-4-carboxamide

Systemtic Name: 2-azanyl-N-[(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]pyridin-1-ium-4-carboxamide Openeye Name: 2-amino-N-[(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]pyridin-1-ium-4-carboxamide CAS Name: 2-amino-N-[(1S)-1-[2-(1-azocanyl)-4-methyl-5-pyrimidinyl]ethyl]-4-pyridin-1-iumcarboxamide IUPAC Name: 2-amino-N-[(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]pyridin-1-ium-4-carboxamide Traditional Name: 2-amino-N-[(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]pyridin-1-ium-4-carboxamide Formula: C20H29N6O+ MolecularWeight: 369.48386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)NC(=O)C2=CC(=[NH+]C=C2)N)N3CCCCCCC3

Isomeric SMILES

CC1=NC(=NC=C1[C@H](C)NC(=O)C2=CC(=[NH+]C=C2)N)N3CCCCCCC3

InChI

InChI=1S/C20H28N6O/c1-14(24-19(27)16-8-9-22-18(21)12-16)17-13-23-20(25-15(17)2)26-10-6-4-3-5-7-11-26/h8-9,12-14H,3-7,10-11H2,1-2H3,(H2,21,22)(H,24,27)/p+1/t14-/m0/s1