1-methyl-4-prop-2-enyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium

Systemtic Name: 1-methyl-4-prop-2-enyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium Openeye Name: 4-allyl-1-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium CAS Name: 1-methyl-4-prop-2-enyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium IUPAC Name: 1-methyl-4-prop-2-enyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium Traditional Name: 4-allyl-1-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium Formula: C13H19N2+ MolecularWeight: 203.30336

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC2=CC=CC=C21)CC=C

Isomeric SMILES

CN1CC[NH+](CC2=CC=CC=C21)CC=C

InChI

InChI=1S/C13H18N2/c1-3-8-15-10-9-14(2)13-7-5-4-6-12(13)11-15/h3-7H,1,8-11H2,2H3/p+1