4-phenyl-1-(piperidin-1-ium-1-ylmethyl)-3H-1,5-benzodiazepin-2-one

Systemtic Name: 4-phenyl-1-(piperidin-1-ium-1-ylmethyl)-3H-1,5-benzodiazepin-2-one Openeye Name: 4-phenyl-1-(piperidin-1-ium-1-ylmethyl)-3H-1,5-benzodiazepin-2-one CAS Name: 4-phenyl-1-(1-piperidin-1-iumylmethyl)-3H-1,5-benzodiazepin-2-one IUPAC Name: 4-phenyl-1-(piperidin-1-ium-1-ylmethyl)-3H-1,5-benzodiazepin-2-one Traditional Name: 4-phenyl-1-(piperidin-1-ium-1-ylmethyl)-3H-1,5-benzodiazepin-2-one Formula: C21H24N3O+ MolecularWeight: 334.43476

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=O)CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=O)CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O/c25-21-15-19(17-9-3-1-4-10-17)22-18-11-5-6-12-20(18)24(21)16-23-13-7-2-8-14-23/h1,3-6,9-12H,2,7-8,13-16H2/p+1