[1-(aminomethyl)-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-1-ium-2-yl]-phenyl-methanone hydrochloride

Systemtic Name: [1-(aminomethyl)-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-1-ium-2-yl]-phenyl-methanone hydrochloride Openeye Name: [1-(aminomethyl)-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-1-ium-2-yl]-phenyl-methanone hydrochloride CAS Name: [1-(aminomethyl)-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-1-ium-2-yl]-phenylmethanone hydrochloride IUPAC Name: [1-(aminomethyl)-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-1-ium-2-yl]-phenylmethanone hydrochloride Traditional Name: [1-(aminomethyl)-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-1-ium-2-yl]-phenyl-methanone hydrochloride Formula: C24H25ClN3O+ MolecularWeight: 406.9278

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(CN=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)CN.Cl

Isomeric SMILES

C[N+]1(C(CN=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)CN.Cl

InChI

InChI=1S/C24H24N3O.ClH/c1-27(17-25)21-15-9-8-14-20(21)23(18-10-4-2-5-11-18)26-16-22(27)24(28)19-12-6-3-7-13-19;/h2-15,22H,16-17,25H2,1H3;1H/q+1;