[(2S,5R)-7-chloranyl-5-cycloheptyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]-methyl-azanium

Systemtic Name: [(2S,5R)-7-chloranyl-5-cycloheptyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]-methyl-azanium Openeye Name: [(2S,5R)-7-chloro-5-cycloheptyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]-methyl-ammonium CAS Name: [(2S,5R)-7-chloro-5-cycloheptyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]-methylammonium IUPAC Name: [(2S,5R)-7-chloro-5-cycloheptyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]-methylazanium Traditional Name: [(2S,5R)-7-chloro-5-cycloheptyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]-methyl-ammonium Formula: C17H27ClN3+ MolecularWeight: 308.86938

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1CNC(C2=C(N1)C=CC(=C2)Cl)C3CCCCCC3

Isomeric SMILES

C[NH2+][C@H]1CN[C@@H](C2=C(N1)C=CC(=C2)Cl)C3CCCCCC3

InChI

InChI=1S/C17H26ClN3/c1-19-16-11-20-17(12-6-4-2-3-5-7-12)14-10-13(18)8-9-15(14)21-16/h8-10,12,16-17,19-21H,2-7,11H2,1H3/p+1/t16-,17-/m1/s1