4-(4-chlorophenyl)-1-[7-(pyrrolidin-1-ium-1-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butan-1-one

Systemtic Name: 4-(4-chlorophenyl)-1-[7-(pyrrolidin-1-ium-1-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butan-1-one Openeye Name: 4-(4-chlorophenyl)-1-[7-(pyrrolidin-1-ium-1-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butan-1-one CAS Name: 4-(4-chlorophenyl)-1-[7-(1-pyrrolidin-1-iumylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-butanone IUPAC Name: 4-(4-chlorophenyl)-1-[7-(pyrrolidin-1-ium-1-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butan-1-one Traditional Name: 4-(4-chlorophenyl)-1-[7-(pyrrolidin-1-ium-1-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butan-1-one Formula: C24H30ClN2O2+ MolecularWeight: 413.9602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC[NH+](C1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H29ClN2O2/c25-22-9-6-19(7-10-22)4-3-5-24(28)27-14-15-29-23-11-8-20(16-21(23)18-27)17-26-12-1-2-13-26/h6-11,16H,1-5,12-15,17-18H2/p+1