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

Systemtic Name: 1-[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-4-(3-chlorophenyl)piperazine Openeye Name: 1-[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-4-(3-chlorophenyl)piperazine CAS Name: 1-[(3S)-1-(2-adamantyl)-3-piperidin-1-iumyl]-4-(3-chlorophenyl)piperazine IUPAC Name: 1-[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-4-(3-chlorophenyl)piperazine Traditional Name: 1-[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-4-(3-chlorophenyl)piperazine Formula: C25H37ClN3+ MolecularWeight: 415.03438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36ClN3/c26-22-3-1-4-23(16-22)27-7-9-28(10-8-27)24-5-2-6-29(17-24)25-20-12-18-11-19(14-20)15-21(25)13-18/h1,3-4,16,18-21,24-25H,2,5-15,17H2/p+1/t18?,19?,20?,21?,24-,25?/m0/s1