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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3CCC[NH+](C3)C4C5CC6CC(C5)CC4C6

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)[C@H]3CCC[NH+](C3)C4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C26H39N3O/c1-30-25-6-4-23(5-7-25)27-9-11-28(12-10-27)24-3-2-8-29(18-24)26-21-14-19-13-20(16-21)17-22(26)15-19/h4-7,19-22,24,26H,2-3,8-18H2,1H3/p+1/t19?,20?,21?,22?,24-,26?/m0/s1