[5-(cyclopropylmethyl)-4-oxidanylidene-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-ium-3-yl]carbamic acid

Systemtic Name: [5-(cyclopropylmethyl)-4-oxidanylidene-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-ium-3-yl]carbamic acid Openeye Name: [5-(cyclopropylmethyl)-4-oxo-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-ium-3-yl]carbamic acid CAS Name: [5-(cyclopropylmethyl)-4-oxo-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-ium-3-yl]carbamic acid IUPAC Name: [5-(cyclopropylmethyl)-4-oxo-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-ium-3-yl]carbamic acid Traditional Name: [5-(cyclopropylmethyl)-4-keto-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-ium-3-yl]carbamic acid Formula: C14H18N3O3+ MolecularWeight: 276.31102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC2C3=CC=CC=C3NCC([N+]2=O)NC(=O)O

Isomeric SMILES

C1CC1CC2C3=CC=CC=C3NCC([N+]2=O)NC(=O)O

InChI

InChI=1S/C14H17N3O3/c18-14(19)16-13-8-15-11-4-2-1-3-10(11)12(17(13)20)7-9-5-6-9/h1-4,9,12-13,15-16H,5-8H2/p+1