1-[(2-methoxypyrimidin-5-yl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroazepin-1-ium

Systemtic Name: 1-[(2-methoxypyrimidin-5-yl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroazepin-1-ium Openeye Name: 1-[(2-methoxypyrimidin-5-yl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroazepin-1-ium CAS Name: 1-[(2-methoxy-5-pyrimidinyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroazepin-1-ium IUPAC Name: 1-[(2-methoxypyrimidin-5-yl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroazepin-1-ium Traditional Name: 1-[(2-methoxypyrimidin-5-yl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroazepin-1-ium Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=CC[NH+](C1)CC2=CN=C(N=C2)OC)C

Isomeric SMILES

CC1(CC=CC[NH+](C1)CC2=CN=C(N=C2)OC)C

InChI

InChI=1S/C14H21N3O/c1-14(2)6-4-5-7-17(11-14)10-12-8-15-13(18-3)16-9-12/h4-5,8-9H,6-7,10-11H2,1-3H3/p+1