4-(phenylmethyl)-8-[(3S)-1-pyridin-1-ium-2-ylpiperidin-3-yl]carbonyl-4,8-diazaspiro[4.5]decan-3-one

Systemtic Name: 4-(phenylmethyl)-8-[(3S)-1-pyridin-1-ium-2-ylpiperidin-3-yl]carbonyl-4,8-diazaspiro[4.5]decan-3-one Openeye Name: 4-benzyl-8-[(3S)-1-pyridin-1-ium-2-ylpiperidine-3-carbonyl]-4,8-diazaspiro[4.5]decan-3-one CAS Name: 8-[oxo-[(3S)-1-(2-pyridin-1-iumyl)-3-piperidinyl]methyl]-4-(phenylmethyl)-4,8-diazaspiro[4.5]decan-3-one IUPAC Name: 4-benzyl-8-[(3S)-1-pyridin-1-ium-2-ylpiperidine-3-carbonyl]-4,8-diazaspiro[4.5]decan-3-one Traditional Name: 4-benzyl-8-[(3S)-1-pyridin-1-ium-2-ylnipecotoyl]-4,8-diazaspiro[4.5]decan-3-one Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC=CC=[NH+]2)C(=O)N3CCC4(CCC(=O)N4CC5=CC=CC=C5)CC3

Isomeric SMILES

C1C[C@@H](CN(C1)C2=CC=CC=[NH+]2)C(=O)N3CCC4(CCC(=O)N4CC5=CC=CC=C5)CC3

InChI

InChI=1S/C26H32N4O2/c31-24-11-12-26(30(24)19-21-7-2-1-3-8-21)13-17-28(18-14-26)25(32)22-9-6-16-29(20-22)23-10-4-5-15-27-23/h1-5,7-8,10,15,22H,6,9,11-14,16-20H2/p+1/t22-/m0/s1