2-phenyl-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-phenyl-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]ethanone Openeye Name: 2-phenyl-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)-1-piperidyl]ethanone CAS Name: 2-phenyl-1-[(3S)-3-(1-pyrrolidin-1-iumylmethyl)-1-piperidinyl]ethanone IUPAC Name: 2-phenyl-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]ethanone Traditional Name: 2-phenyl-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidino]ethanone Formula: C18H27N2O+ MolecularWeight: 287.41978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2CCCN(C2)C(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)C[C@H]2CCCN(C2)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H26N2O/c21-18(13-16-7-2-1-3-8-16)20-12-6-9-17(15-20)14-19-10-4-5-11-19/h1-3,7-8,17H,4-6,9-15H2/p+1/t17-/m1/s1