[(3S)-3-phenylazanylpiperidin-1-yl]-(1-pyrrolidin-1-ium-1-ylcyclopentyl)methanone

Systemtic Name: [(3S)-3-phenylazanylpiperidin-1-yl]-(1-pyrrolidin-1-ium-1-ylcyclopentyl)methanone Openeye Name: [(3S)-3-anilino-1-piperidyl]-(1-pyrrolidin-1-ium-1-ylcyclopentyl)methanone CAS Name: [(3S)-3-anilino-1-piperidinyl]-[1-(1-pyrrolidin-1-iumyl)cyclopentyl]methanone IUPAC Name: [(3S)-3-anilinopiperidin-1-yl]-(1-pyrrolidin-1-ium-1-ylcyclopentyl)methanone Traditional Name: [(3S)-3-anilinopiperidino]-(1-pyrrolidin-1-ium-1-ylcyclopentyl)methanone Formula: C21H32N3O+ MolecularWeight: 342.49828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)N2CCCC(C2)NC3=CC=CC=C3)[NH+]4CCCC4

Isomeric SMILES

C1CCC(C1)(C(=O)N2CCC[C@@H](C2)NC3=CC=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C21H31N3O/c25-20(21(12-4-5-13-21)24-15-6-7-16-24)23-14-8-11-19(17-23)22-18-9-2-1-3-10-18/h1-3,9-10,19,22H,4-8,11-17H2/p+1/t19-/m0/s1