(2S)-4-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenyl-butan-1-one

Systemtic Name: (2S)-4-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenyl-butan-1-one Openeye Name: (2S)-4-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenyl-butan-1-one CAS Name: (2S)-4-(1-azepan-1-iumyl)-1-(4-chlorophenyl)-2-phenyl-1-butanone IUPAC Name: (2S)-4-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenylbutan-1-one Traditional Name: (2S)-4-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenyl-butan-1-one Formula: C22H27ClNO+ MolecularWeight: 356.90888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCC(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CC[C@@H](C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClNO/c23-20-12-10-19(11-13-20)22(25)21(18-8-4-3-5-9-18)14-17-24-15-6-1-2-7-16-24/h3-5,8-13,21H,1-2,6-7,14-17H2/p+1/t21-/m0/s1