4-chloranyl-2-[(2R)-2-methyl-5-phenyl-2,3-dihydro-1H-1,4-diazepin-4-ium-7-yl]phenol

Systemtic Name: 4-chloranyl-2-[(2R)-2-methyl-5-phenyl-2,3-dihydro-1H-1,4-diazepin-4-ium-7-yl]phenol Openeye Name: 4-chloro-2-[(2R)-2-methyl-5-phenyl-2,3-dihydro-1H-1,4-diazepin-4-ium-7-yl]phenol CAS Name: 4-chloro-2-[(2R)-2-methyl-5-phenyl-2,3-dihydro-1H-1,4-diazepin-4-ium-7-yl]phenol IUPAC Name: 4-chloro-2-[(2R)-2-methyl-5-phenyl-2,3-dihydro-1H-1,4-diazepin-4-ium-7-yl]phenol Traditional Name: 4-chloro-2-[(2R)-2-methyl-5-phenyl-2,3-dihydro-1H-1,4-diazepin-4-ium-7-yl]phenol Formula: C18H18ClN2O+ MolecularWeight: 313.80132

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+]=C(C=C(N1)C2=C(C=CC(=C2)Cl)O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1C[NH+]=C(C=C(N1)C2=C(C=CC(=C2)Cl)O)C3=CC=CC=C3

InChI

InChI=1S/C18H17ClN2O/c1-12-11-20-16(13-5-3-2-4-6-13)10-17(21-12)15-9-14(19)7-8-18(15)22/h2-10,12,21-22H,11H2,1H3/p+1/t12-/m1/s1