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

Systemtic Name: 1-[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-4-phenyl-piperazine Openeye Name: 1-[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-4-phenyl-piperazine CAS Name: 1-[(3S)-1-(2-adamantyl)-3-piperidin-1-iumyl]-4-phenylpiperazine IUPAC Name: 1-[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-4-phenylpiperazine Traditional Name: 1-[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-4-phenyl-piperazine Formula: C25H38N3+ MolecularWeight: 380.58932

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2C3CC4CC(C3)CC2C4)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2C3CC4CC(C3)CC2C4)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C25H37N3/c1-2-5-23(6-3-1)26-9-11-27(12-10-26)24-7-4-8-28(18-24)25-21-14-19-13-20(16-21)17-22(25)15-19/h1-3,5-6,19-22,24-25H,4,7-18H2/p+1/t19?,20?,21?,22?,24-,25?/m0/s1