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

Systemtic Name: [1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]-piperidin-1-yl-methanone Openeye Name: [1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]-(1-piperidyl)methanone CAS Name: [1-[(2S)-2-phenylpropyl]-4-piperidin-1-iumyl]-(1-piperidinyl)methanone IUPAC Name: [1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]-piperidin-1-ylmethanone Traditional Name: [1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]-piperidino-methanone Formula: C20H31N2O+ MolecularWeight: 315.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCC(CC1)C(=O)N2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C[NH+]1CCC(CC1)C(=O)N2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H30N2O/c1-17(18-8-4-2-5-9-18)16-21-14-10-19(11-15-21)20(23)22-12-6-3-7-13-22/h2,4-5,8-9,17,19H,3,6-7,10-16H2,1H3/p+1/t17-/m1/s1