7-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium

Systemtic Name: 7-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium Openeye Name: 7-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium CAS Name: 7-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium IUPAC Name: 7-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium Traditional Name: 7-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium Formula: C10H15N2+ MolecularWeight: 163.2395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NCC[NH2+]C2

Isomeric SMILES

CC1=CC2=C(C=C1)NCC[NH2+]C2

InChI

InChI=1S/C10H14N2/c1-8-2-3-10-9(6-8)7-11-4-5-12-10/h2-3,6,11-12H,4-5,7H2,1H3/p+1