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

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-4-phenyl-1-piperazin-1-yl-butan-1-one Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-4-phenyl-1-piperazin-1-yl-butan-1-one CAS Name: (2S)-2-(1-azepan-1-iumyl)-4-phenyl-1-(1-piperazinyl)-1-butanone IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-4-phenyl-1-piperazin-1-ylbutan-1-one Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-4-phenyl-1-piperazino-butan-1-one Formula: C20H32N3O+ MolecularWeight: 330.48758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CCC2=CC=CC=C2)C(=O)N3CCNCC3

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](CCC2=CC=CC=C2)C(=O)N3CCNCC3

InChI

InChI=1S/C20H31N3O/c24-20(23-16-12-21-13-17-23)19(22-14-6-1-2-7-15-22)11-10-18-8-4-3-5-9-18/h3-5,8-9,19,21H,1-2,6-7,10-17H2/p+1/t19-/m0/s1