1-[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine

Systemtic Name: 1-[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Openeye Name: 1-[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine CAS Name: 1-[(3S)-1-(2-adamantyl)-3-piperidin-1-iumyl]-4-(2-methoxyphenyl)piperazine IUPAC Name: 1-[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Traditional Name: 1-[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Formula: C26H40N3O+ MolecularWeight: 410.6153

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CCC[NH+](C3)C4C5CC6CC(C5)CC4C6

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)[C@H]3CCC[NH+](C3)C4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C26H39N3O/c1-30-25-7-3-2-6-24(25)28-11-9-27(10-12-28)23-5-4-8-29(18-23)26-21-14-19-13-20(16-21)17-22(26)15-19/h2-3,6-7,19-23,26H,4-5,8-18H2,1H3/p+1/t19?,20?,21?,22?,23-,26?/m0/s1