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

Systemtic Name: (2S)-4-phenyl-1-piperazin-1-yl-2-piperidin-1-ium-1-yl-butan-1-one Openeye Name: (2S)-4-phenyl-1-piperazin-1-yl-2-piperidin-1-ium-1-yl-butan-1-one CAS Name: (2S)-4-phenyl-1-(1-piperazinyl)-2-(1-piperidin-1-iumyl)-1-butanone IUPAC Name: (2S)-4-phenyl-1-piperazin-1-yl-2-piperidin-1-ium-1-ylbutan-1-one Traditional Name: (2S)-4-phenyl-1-piperazino-2-piperidin-1-ium-1-yl-butan-1-one Formula: C19H30N3O+ MolecularWeight: 316.461

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CCC2=CC=CC=C2)C(=O)N3CCNCC3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CCC2=CC=CC=C2)C(=O)N3CCNCC3

InChI

InChI=1S/C19H29N3O/c23-19(22-15-11-20-12-16-22)18(21-13-5-2-6-14-21)10-9-17-7-3-1-4-8-17/h1,3-4,7-8,18,20H,2,5-6,9-16H2/p+1/t18-/m0/s1