2-adamantylmethyl-[1-[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]carbonylphenyl]piperidin-4-yl]azanium

Systemtic Name: 2-adamantylmethyl-[1-[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]carbonylphenyl]piperidin-4-yl]azanium Openeye Name: 2-adamantylmethyl-[1-[4-[(3S)-3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-4-piperidyl]ammonium CAS Name: 2-adamantylmethyl-[1-[4-[[(3S)-3-(hydroxymethyl)-1-piperidinyl]-oxomethyl]phenyl]-4-piperidinyl]ammonium IUPAC Name: 2-adamantylmethyl-[1-[4-[(3S)-3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]piperidin-4-yl]azanium Traditional Name: 2-adamantylmethyl-[1-[4-[(3S)-3-methylolpiperidine-1-carbonyl]phenyl]-4-piperidyl]ammonium Formula: C29H44N3O2+ MolecularWeight: 466.67856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CC4C5CC6CC(C5)CC4C6)CO

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CC4C5CC6CC(C5)CC4C6)CO

InChI

InChI=1S/C29H43N3O2/c33-19-20-2-1-9-32(18-20)29(34)23-3-5-27(6-4-23)31-10-7-26(8-11-31)30-17-28-24-13-21-12-22(15-24)16-25(28)14-21/h3-6,20-22,24-26,28,30,33H,1-2,7-19H2/p+1/t20-,21?,22?,24?,25?,28?/m0/s1