[1-[1-[(2S)-2-phenylpropyl]piperidin-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-[1-[(2S)-2-phenylpropyl]piperidin-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[1-[(2S)-2-phenylpropyl]-4-piperidyl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-[1-[(2S)-2-phenylpropyl]-4-piperidinyl]-4-piperidin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[1-[(2S)-2-phenylpropyl]piperidin-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[1-[(2S)-2-phenylpropyl]-4-piperidyl]piperidin-1-ium-4-yl]-pyrrolidino-methanone Formula: C24H38N3O+ MolecularWeight: 384.57802

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCC(CC1)[NH+]2CCC(CC2)C(=O)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CN1CCC(CC1)[NH+]2CCC(CC2)C(=O)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H37N3O/c1-20(21-7-3-2-4-8-21)19-25-15-11-23(12-16-25)26-17-9-22(10-18-26)24(28)27-13-5-6-14-27/h2-4,7-8,20,22-23H,5-6,9-19H2,1H3/p+1/t20-/m1/s1