(2S)-4-phenoxy-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-butan-1-one

Systemtic Name: (2S)-4-phenoxy-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-butan-1-one Openeye Name: (2S)-4-phenoxy-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-butan-1-one CAS Name: (2S)-4-phenoxy-1-(1-piperazinyl)-2-(1-pyrrolidin-1-iumyl)-1-butanone IUPAC Name: (2S)-4-phenoxy-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-ylbutan-1-one Traditional Name: (2S)-4-phenoxy-1-piperazino-2-pyrrolidin-1-ium-1-yl-butan-1-one Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CCOC2=CC=CC=C2)C(=O)N3CCNCC3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CCOC2=CC=CC=C2)C(=O)N3CCNCC3

InChI

InChI=1S/C18H27N3O2/c22-18(21-13-9-19-10-14-21)17(20-11-4-5-12-20)8-15-23-16-6-2-1-3-7-16/h1-3,6-7,17,19H,4-5,8-15H2/p+1/t17-/m0/s1